Synthetic Route of 641571-11-1, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 641571-11-1, Name is 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline, SMILES is CC1=C[N](C=N1)C2=CC(=CC(=C2)N)C(F)(F)F, belongs to imidazoles-derivatives compound. In a article, author is Smitha, M., introduce new discover of the category.
Two novel imidazole derivatives – Combined experimental and computational study
Two novel imidazole derivatives, 2-chloro-4,5-dimethyl-1-phenyl-1H-imidazole (C11H11ClN2)(PHENYLI) and 2-chloro-4,5-dimethyl-1-(o-tolyl)-1H-imidazole (C12H13ClN2) (TOLYLI), have been obtained by a procedure based on solvent-free synthesis pathway. Newly synthetized imidazole derivatives have been characterized experimentally by IR, FT-Raman and NMR techniques, while their reactive properties have been predicted on the basis of density functional theory (DFT) calculations and molecular dynamics (MD) simulations. The NLO behavior of the title compounds is greater than that of the standard NLO material urea. MEP analysis gives the most reactive sites in the molecules. TOLYLI compound reveals anti-bacterial activity against all four bacterial strain in both gram positive and gram negative bacteria and PHENYL! compound showed in gram positive and gram negative bacteria both with very good immense and has more sensitive. Interactions of these novel imidazole derivatives with selected protein have been computationally investigated by molecular docking procedure. The docking studies suggest that the compounds might exhibit inhibitory activity against APO-liver alcohol dehydrogenase inhibitor. (C) 2018 Elsevier B.V. All rights reserved.
Synthetic Route of 641571-11-1, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 641571-11-1 is helpful to your research.