Design, Synthesis and Structure‐Activity Relationship Study of Coumarin Benzimidazole Hybrid as Potent Antibacterial and Anticancer Agents

New coumarin‐benzimidazole hybrids (3a–f) have been synthesized from 4‐formylcoumarins and a series of N‐sulphonation (4 a‐f) and N‐methylation (5 a‐f) compounds were obtained from compounds (3a–f). All the synthesized compounds have exhibited good antimicrobial activity. Docking studies provide valuable insights to potential binding modes of inhibitors. Anti cancer activity of compound 4 a and 4 c have shown excellent activity against HeLa cell line. Whereas compound 4 a and 4 d exhibited higher activity against HT 29 cell lines. We calculated the LC50, TGI and GI50 which show < 10 mg/mL. The synthesized compounds were characterized by IR, NMR, Mass spectral analysis and few of them by single X‐ray crystallography analysis. A new class of coumarin‐benzimidazole hybrids was synthesized and incorporated sulfonyl and methyl groups on benzimidazole nitrogen which exhibit excellent antimicrobial activity at low concentration, further it was supported by molecular docking studies. The anticancer activity results reveal that the synthesized compounds are potential agents against HeLa and HT29 cell lines.