The work reports synthesis of ten novel derivatives of 5-(1-(substituted phenyl)-4,5-diphenyl-1H-imidazol-2-yl)-4-methylthiazole 5(a-o). The reaction of benzil, primary aryl amines, 4-methylthiazole-5-carbaldehyde, and ammonium acetate was carried out in one pot in presence of eco-friendly catalyst cerric ammonium nitrate in solvent ethanol to give final compounds. The synthesized derivatives were evaluated for their in vitro antifungal activity against pathogenic fungal stains. Molecular modelling studies suggested that some of the synthesized derivatives, especially 5b and 5c exhibited excellent antifungal activity whereas all imidazole derivatives 5(a-o) have potential to explore in the drug discovery pipeline for antifungal agents. The structures of the synthesized compounds were confirmed by spectral characterization such as IR, ¹H NMR, ¹³CNMR and Mass spectral studies. In addition to this the in silico ADMET study, was also performed which proves that the synthesized compounds exhibit good oral absorption and are non- toxic in nature.