In this study a novel series of nitrogen containing imidazole linked pyrimidine 4-aryl-6-(4-(2-aryl-4,5-diphenyl-1H-imidazol-1-yl)phenyl)pyrimidin-2(1H)-one (9a-d) have been synthesized by the condensation of chalcones (7a-d) with urea (8). The precursor was synthesized by the reaction of 1-(4-(2-substituted-4,5-diphenyl-1H-imidazol-1-yl)phenyl)ethenone (5a-c) with arylaldehydes. The structures of the newly synthesized compounds were characterized by FT-IR, 1H NMR, 13C NMR, Mass spectral studies. MABA (Microplate alamar Blue Assay) assay was employed for assessing the antitubercular activity against the Mycobacterium tuberculosis H37Rv strain. Among the synthesized compounds 9b, 9c and 9d showed excellent anti-tubercular activity than the reference (MIC-3.125 μg/ml) isoniazid. The results indicated that most of the synthesised derivatives exhibited prominent inhibitory activity against tuberculosis. The molecular docking analysis of the compounds (9a-d) by using PyRx 0.8 software. The molecular docking studies were conducted against the target of InhA compared the same with standard drug isoniazid. Among all the compounds 9d (-11.8 kcal/mol) highest and 9b, 9c (-11.5 kcal/mol) showed excellent binding affinity against InhA. Binding affinity higher than the standard drug isoniazid.pyrimidine, imidazole, InhA, antituberculosis activity,