A New Synthetic Route and Comprehensive Topological Study of a Benzimidazole Derivative

Benzimidazole and its derivatives are molecules that have diverse biological properties, therefore we synthesized studied a new benzimidazole to understand their physical/chemical properties. The compound was obtained through synthetic route, using graphite oxide, in the absence of solvent, with crystalline packaging supported by C–H…N C–H…π interactions. According frontier molecular orbitals, is kinetically stable while electrostatic potential map confirms site interactions involving nitrogen atoms π-system. This comprehensive study on synthesis, structural description theoretical calculations can support ongoing studies pharmaceutical science.