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A variety of synthetic routes to benzimidazole derivatives have been reported based on different heterocyclic rings such as Schiff bases, 2-azetidinone, 4-thiazolidinone and 1,3-oxazepan. Additionally, HOMO-LUMO and vibrational wavenumbers which represent the quantum mechanical calculations of energies were conducted by Density functional theory (DFT) method at the level of B3LYP with 6-31G(d,p) basis set. FTIR, ¹H NMR spectroscopy and spectral mass spectrometry were used to characterize these compounds; this was followed by measuring the biological activities for gram-negative, gram-positive bacteria and fungi by using diffusion protocol. The outcomes of DFT calculations showed consistency between the experimental values and theoretical of the vibrational and NMR spectroscopy.

Synthesis, Theoretical and Antimicrobial Activity Study of New Benzimidazole Derivatives