Login / Signup

Structures and biological activity of three 2-(pyridin-2-yl)-1H-benzimidazole derivatives.

Jarosław SukiennikAndrzej OlczakKatarzyna GobisIzabela Korona-GłowniakKatarzyna SuśniakAndrzej FruzińskiMałgorzata Szczesio
Published in: Acta crystallographica. Section C, Structural chemistry (2023)
Two new 2-(pyridin-2-yl)-1H-benzimidazole derivatives, namely, 2-(4-phenoxypyridin-2-yl)-1H-benzimidazole, C 18 H 13 N 3 O, and 2-[4-(4-fluorophenoxy)pyridin-2-yl]-1H-benzimidazole, C 18 H 12 FN 3 O, were synthesized and characterized by NMR spectroscopy. Crystal structure, biological activity and ADME analyses were performed for these two new compounds and a third compound, namely, 5,6-dimethyl-2-[4-(4-phenylpiperazin-1-yl)pyridin-2-yl]-1H-benzimidazole methanol monosolvate, C 24 H 25 N 5 ·CH 3 OH, the synthesis of which had been described previously. All three compounds have a similar chain hydrogen-bonding pattern. One of them (the fluorophenoxy derivative) showed good antimicrobial activity against Gram-positive bacteria. The ADME analysis indicates that the compounds could be good drug candidates.
Keyphrases
  • molecular docking
  • crystal structure
  • molecular dynamics simulations
  • emergency department
  • gram negative
  • carbon dioxide