International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
Since Year 2012 | Open Access | Fully Refereed | Peer Reviewed

ISSN: 2319-7064




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Research Paper | Chemistry | India | Volume 11 Issue 1, January 2022


Design, Molecular Docking, DFT and Antimicrobial Studies of Novel Benzimdazole Derivatives

A. Adhilakshmi | S. Darlin Quine


Abstract: In the study, we have successfully synthesized N-((1H-benzo [d]imidazol-2-yl) methyl)-4-chloroaniline by the reaction of 4-chloroaniline with 2-(chloromethyl)-1H-benzo [d]imidazole. Thereafter novel derivative would be subjected to synthesize (1a&1b) by N-((1H-benzo [d]imidazol-2-yl) methyl)-4-methylaniline with 1, 2, 4-triazole and N-methyl-1H-1, 2, 4-triazol-3-amine These synthesized compounds (1a&1b) were characterized by FT-IR, 1H NMR and 13C spectroscopy, and the theoretical investigation of MEPs, HOMO, LUMO, and the energy gap of HOMO-LUMO were calculated by B3LYP/6-311G (d, p) method. The Synthesized compounds were evaluated for their antibacterial activities using agar diffusion methods respectively. A molecular docking study has supported the antimicrobial activity of the synthesized compounds.


Keywords: 4-chloroaniline, 2-(chloromethyl)-1H-benzo [d]imidazole, Molecular docking, DFT


Edition: Volume 11 Issue 1, January 2022,


Pages: 1319 - 1324


How to Cite this Article?

A. Adhilakshmi, S. Darlin Quine, "Design, Molecular Docking, DFT and Antimicrobial Studies of Novel Benzimdazole Derivatives", International Journal of Science and Research (IJSR), Volume 11 Issue 1, January 2022, pp. 1319-1324, https://www.ijsr.net/get_abstract.php?paper_id=SR22121144929

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