Author: Jessica.F

Quantitative structure-activity relationship of benzimidazoles using molecular negentropy on the hepatic mixed-function oxidases inhibition was written by Buyukbingol, Erdem. And the article was included in Gazi Universitesi Eczacilik Fakultesi Dergisi in 1985.Electric Literature of C15H22N2 This article mentions the following:

A series of benzimidazole derivatives containing alkyl groups in the 2-position were studied to estimate the interaction with hepatic microsomal cytochrome P 450 inhibition, using a mol. negentropy parameter which is reflected in the topol. characters of the substituents. Although the lipophilicity of the substituent was the critical factor within a series of homologous compounds, on the basis of a regression equation it was observed that topol. character corroborated the correlation with biol. activity. In the experiment, the researchers used many compounds, for example, 2-Octylbenzimidazole (cas: 13060-24-7Electric Literature of C15H22N2).

2-Octylbenzimidazole (cas: 13060-24-7) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3–C6) is higher than in water and generally decreases with a Imidazole has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.Electric Literature of C15H22N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

New Procedure for the Synthesis of 2-Alkylbenzimidazoles was written by Yamashita, Tomohiro;Yamada, Shozo;Yamazaki, Yasundo;Tanaka, Hideo. And the article was included in Synthetic Communications in 2009.Synthetic Route of C15H22N2 This article mentions the following:

Simple, economical, and environmentally friendly method to synthesize 2-alkylbenzimidazoles, e.g., I (Et, n-octyl, c-hexyl), was developed by modifying the conventional method between o-phenylenediamine and aldehydes. In the experiment, the researchers used many compounds, for example, 2-Octylbenzimidazole (cas: 13060-24-7Synthetic Route of C15H22N2).

2-Octylbenzimidazole (cas: 13060-24-7) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Synthetic Route of C15H22N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Structural effects on thermodynamic behavior and hydrogen bond interactions of water-ionic liquid systems was written by Jiang, Yifan;Wang, Zhenhang;Lei, Zhigang;Yu, Gangqiang. And the article was included in Chemical Engineering Science in 2021.Quality Control of 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide This article mentions the following:

The relationships between the structure and the thermodn. behavior and the hydrogen bond (HB) interactions in H₂O + ionic liquid (IL) systems were systematically investigated for the first time. Imidazolium-based ILs comprising 1-alkyl-3-methylimidazolium cations ([RMIM]⁺) and various anions such as acetate ([AC]^–), thiocyanate ([SCN]^–), tetrafluoroborate ([BF₄]^–), and bis(trifluoromethylsulfonyl)imide ([Tf₂N]^–) were investigated. The vapor-liquid equilibrium (VLE) of H₂O + IL systems was exptl. determined and predicted by the UNIFAC-Lei model. The results demonstrated that the vapor pressure is mainly dependent on the type of anion and increases slightly with an increase in the cation alkyl chain length. Quantum chem. calculation and wavefunction anal. clearly revealed the relationship between the VLE and the HB interactions. This study provides theor. guidance for designing and screening task-specific ILs for chem. processes such as gas dehydration and dehumidification. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Quality Control of 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3–C6) is higher than in water and generally decreases with a Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Quality Control of 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Insights into the influence of the molecular structures of fluorinated ionic liquids on their thermophysical properties. A soft-SAFT based approach was written by Ferreira, Margarida L.;Araujo, Joao M. M.;Pereiro, Ana B.;Vega, Lourdes F.. And the article was included in Physical Chemistry Chemical Physics in 2019.Recommanded Product: 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide This article mentions the following:

Fluorinated ionic liquids (FILs) are a unique family of ionic liquids with remarkable properties, including the formation of 3 nano-segregated domains, which are very attractive for several emerging applications. However, the amount of available exptl. data to fully characterize them is very scarce. The authors propose a systematic methodol. to build FIL transferable mol. models within the soft-SAFT framework to describe the behavior of FILs and their mixtures A total of 38 FILs (pyridinium- and imidazolium-based FILs conjugated with fluorinated anions such as [N(CF₃SO₂)₂]^–, [CF₃SO₃]^–, [CF₃CO₂]^–, [C₄F₉SO₃]^– and [C₄F₉CO₂]^–) were modeled for this purpose using available data, paying special attention to the phys. meaning of the parameters. The models are used to obtain mol. insights into the influence of the anion and cation mol. structures on the thermophys. properties of the FILs. The anion and anion fluorination are the leading features in the thermophys. properties studied, as captured by soft-SAFT. Models for 3 FILs not included in the parametrization study were built from the transferable parameters, in excellent agreement with exptl. data, underlining the robustness of the soft-SAFT approach. The methodol. presented here allows a direct connection between the mol. characteristics of the FILs, the influence on their behavior, and how this can be captured by a mol.-based equation of state. The procedure allows assembling FIL models with high predictive capabilities in an intuitive way regarding the process of parametrization from the mol. structure, allowing one to characterize their thermophys. behavior where limited exptl. data are available. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Recommanded Product: 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Recommanded Product: 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Toward Designing “Sweet” Ionic Liquids Containing a Natural Terpene Moiety as Effective Wood Preservatives was written by Feder-Kubis, Joanna;Zabielska-Matejuk, Jadwiga;Stangierska, Anna;Przybylski, Piotr;Jacquemin, Johan;Geppert-Rybczynska, Monika. And the article was included in ACS Sustainable Chemistry & Engineering in 2019.Category: imidazoles-derivatives This article mentions the following:

This study is focused on the utilization of naturally occurring terpene alc. in the synthesis of ionic liquids (ILs) and their application potential in wood protection. A new series of ILs containing a natural, renewable source of (-)-menthol in the cation and a saccharinate derivative as the anion were obtained with a high yield under mild process conditions. The potential applications of synthesized compounds that belong to surface-active compounds were assessed for wood preservation, and they showed pos. results. Laboratory tests of their activity against fungi and saccharinate-based chiral ionic liquid (CIL) bonding with Scots pine (Pinus sylvestris L.) wood are described. The biol. results for salts with alkyl substituents ranging from pentyl to octyl chains are very promising, and their activity is similar to, and even higher than, that of the commonly used material benzalkonium chloride. The fungicidal values of saccharinate-based CILs against Coniophora puteana ranged from 2.75 to 4.4 kg m^-3 and were lower than those of com. benzalkonium chloride. Moreover, those salts penetrate to some extent into pine wood, which strongly increases their potential for use in wood industries. The attenuated total reflectance IR spectroscopy technique was used to characterize the fixing mechanism of the chiral “sweet” salts in the wood structure, and the CIL penetration depth into Scots pine wood was tested. These results were completed with the surface properties of the investigated saccharinates, the surface tension measurements, and contact angles of ILs on wood. The corrosiveness study of imidazolium saccharinate salt showed low aggressiveness against carbon steel, moreover, lower than that of IL with nitrate anion, didecyldimethylammonium nitrate, and com. used benzalkonium chloride. The incorporation of a saccharinate anion into the IL structure may eliminate this unfavorable property of com. protective agents based on ILs. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Category: imidazoles-derivatives).

1-Octyl-1H-imidazole (cas: 21252-69-7) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Chemoselective iodination of 6-substituted imidazo[1,2-a]pyridine was written by Zhao, Chunshen;Li, Fei;Yang, Shuo;Liu, Li;Huang, Zhuyan;Chai, Huifang. And the article was included in Chemistry of Heterocyclic Compounds (New York, NY, United States) in 2018.Computed Properties of C7H5N3O2 This article mentions the following:

3- And 8-Iodoimidazo[1,2-a]pyridines were synthesized from imidazo[1,2-a]pyridines under different substitution conditions. The mol. electrostatic potential calculations were performed to investigate the chemoselectivity of the substitution reaction. The mol. structures of the target compounds were characterized by single crystal X-ray diffraction anal. In the experiment, the researchers used many compounds, for example, 6-Nitroimidazo[1,2-a]pyridine (cas: 25045-82-3Computed Properties of C7H5N3O2).

6-Nitroimidazo[1,2-a]pyridine (cas: 25045-82-3) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Computed Properties of C7H5N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

TEMPO-Mediated Synthesis of N-(Fluoroalkyl)imidazolones via Reaction of Imidazoles with Iodofluoroacetate was written by Chen, Jia-Hao;Ahmed, Wasim;Li, Ming-Hua;Li, Zhao-Dong;Cui, Zi-Ning;Tang, Ri-Yuan. And the article was included in Advanced Synthesis & Catalysis in 2020.Electric Literature of C8H8N2 This article mentions the following:

A TEMPO-mediated oxidative copper-catalyzed synthesis of N-(fluoroalkyl)imidazolones e.g., I via the radical addition of imidazoles such as 6-bromo-3-methyl-3H-imidazo[4,5-b]pyridine, 1-phenylimidazole, 5-bromo-1-methylbenzimidazole, etc. with iodofluoroacetate ICH(F)C(O)OCH₂CH₃ was reported. A possible key intermediate involving TEMPO was observed by ESI-MS. Also found that aerobic oxidation conditions were effective for the transformation in the presence of a copper catalyst, enabling access to a number of N-(fluoroalkyl)imidazolones I in moderate to good yields. In the experiment, the researchers used many compounds, for example, 1-Methylbenzimidazole (cas: 1632-83-3Electric Literature of C8H8N2).

1-Methylbenzimidazole (cas: 1632-83-3) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Electric Literature of C8H8N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Identification of new process-related impurity in the key intermediate in the synthesis of TCV-116 was written by Testen, Ana;Plevnik, Miha;Stefane, Bogdan;Cigic, Irena Kralj. And the article was included in Acta Pharmaceutica (Warsaw, Poland) in 2019.Synthetic Route of C33H34N6O6 This article mentions the following:

Development of safe and effective drugs requires complete impurity evaluation and, therefore, knowledge about the formation and elimination of impurities is necessary. During impurity profiling of a key intermediate during synthesis of candesartan cilexetil (1-(((cyclohexyloxy)carbonyl) oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl) methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate, TCV-116), a novel compound, which had not been reported previously, was observed Structural elucidation of impurity was achieved by liquid chromatog. hyphenated to different high resolution mass analyzers. Based on exact mass measurements and fragmentation pattern, a chloro alkyl carbonate ester analog of the intermediate was identified. Structure of the impurity was confirmed by mass spectro-metric and NMR analyses of the target substance. Identified impurity could represent a hazard if it is transferred to the final API stage and its presence should be kept below allowed limits. Further investigation could reveal whether bis(1-chloroethyl) carbonate is a precursor to impurity formation. Therefore, synthesis should be regulated so as to minimize impurity production Anal. of the final product indicated that the amount of impurity did not exceed 50 mg L^-1, which represents the detection limit, determined according to the signal/noise ratio. In the experiment, the researchers used many compounds, for example, 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5Synthetic Route of C33H34N6O6).

1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Synthetic Route of C33H34N6O6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Solvatochromism of Heteroaromatic Compounds: XIX. Factors Affecting Quantitative Characteristics of Solvatochromism in Aprotic Inert Media was written by Turchaninov, V. K.;Vokin, A. I.;Aksamentova, T. N.;Krivoruchka, I. G.;Shulunova, A. M.;Andriyankova, L. V.. And the article was included in Russian Journal of General Chemistry (Translation of Zhurnal Obshchei Khimii) in 2003.Computed Properties of C4H5N3O2 This article mentions the following:

The effects of aprotic inert media on the electronic absorption spectra of aromatic nitro compounds p-NO₂C₆H₄R were used as evidence for the linear correlation between the slope s_a of the solvatochromism equations ν_max = ν₀ + s_aπ^* and the dipole moments of the mols. in their ground electronic state μ_g. A linear correlation was established between ν₀ and the first ionization potential of subunits PhR. A new approach to estimating the dipole moment of electronically excited mols. (μ_e) for mols. like p-NO₂C₆H₄R from the correlation μ_e = rμ_g was proposed. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Computed Properties of C4H5N3O2).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Computed Properties of C4H5N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Syntheses of some N-alkylated-2-substituted imidazoles was written by Moazzam, Muhammad;Parrick, J.. And the article was included in Journal of the Chemical Society of Pakistan in 1988.Related Products of 85692-37-1 This article mentions the following:

N-Substituted imidazoles were prepared by modifications of known methods. Some substitutions, e.g. acetylation, at the 2-position of these compounds were carried out. A few hydrazones of 1-triphenylmethylimidazole-2-carboxaldehyde were also prepared Reaction of the 2-aldehyde with Et nitroacetate is described. In the experiment, the researchers used many compounds, for example, 1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1Related Products of 85692-37-1).

1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3–C6) is higher than in water and generally decreases with a This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Related Products of 85692-37-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem