Design, Synthesis, Biological Activity, Molecular Docking and Dynamic Studies of Novel Benzimidazole‐Integrated 1,2,3,4‐Tetrazole Derivatives

Intending to design potent antimicrobial and antioxidant agent from the source of benzimidazole-1,2,3,4-tetrazole combined heterocyclic derivatives, novel 2-(4-(2-(5-(4-substituted phenyl)-1H-tetrazol-1-yl)-ethoxy)-3-methoxyphenyl)-1H-benzo[d]-imidazole analogs were synthesized by condensation of o-phenylene diamine with 4-chlorophenyl-1H-tetrazol-1-yl-ethoxy-3-methoxybenzaldehyde as a key step in the presence of sodium meta-bi-sulphide. All newly synthesized compounds (6a-j) were characterized using proton nuclear magnetic resonance (¹H NMR), carbon-13 NMR (¹³C NMR), mass spectrometry, and Fourier-transform infrared spectral analysis. Molecules 6d and 6f exhibited promising antimicrobials and antioxidants and these were found to be the most potent activity molecules when compared with that of standard drugs. Additionally, the molecular docking studies of these molecules were performed and experimented for molecular dynamics.