Facile Synthesis, Antibacterial Activity and Molecular Properties Prediction of Some New 1,3-dihydroimidazol-2-thione Derivatives

Present communication deals with the study of antibacterial activity and molecular properties prediction of some new 1,3-dihydroimidazol-2-thione derivatives (1b-6b) obtained by cyclo-condensation reaction between 1-benzoyl- 3-(substituted phenyl) thioureas (A) with triethylamine in the presence of bromine. The structures of these newly synthesized compounds were confirmed by their chemical, spectral and elemental analysis. All the compounds exhibited weak to moderate in-vitro antibacterial activity against representative Gram-positive and Gram-negative microorganisms. It was found that different substitution pattern on core bioactive scaffold 1,3-dihydroimidazol-2-thione causes a dramatic variation in antibacterial profile. Target compounds were further subjected to molecular properties prediction and drug-likeness by Molinspiration and found in compliance with Lipinski ‘ Rule of Five’ (Ro5) and presented a good drug-likeness score with no violations.