Synthesis, and Characterization and In-Silico Analysis Against SARS CoV-2 of Novel Benzimidazolium Salts

N-heterocyclic carbene molecules are often used as the main scaffold in pharmaceutical chemistry, and one of most important these is benzimidazoles. Severe Acute Respiratory Syndrome Coronavirus Disease-2 cause ongoing pandemic, a drug should be developed against this virus. Scientists have been investigated antiviral effects many not only known but also new molecules. In study, reactivity anti-coronavirus disease properties benzimidazole derivative were by theoretical methods. Three synthesized fully characterized FT-IR, 1H NMR and, 13C{1H} spectroscopies for purpose. Density Functional Theory-based calculation methods optimization frontier orbitals analysis. Also, interactions evaluated with coronavirus protease, severe acute respiratory syndrome peptidase results compared well-known anti-viral drugs molecular docking According to results, 1-allyl-3-(3-chlorobenzyl-5,6-dimethylbenzimidazolium chloride represent best result both protease enzyme -6.36 kcal/mol -8.87 kcal/mol, respectively. Additionally, three give better binding than drugs.