Herein, we report 2-propyl-1H-imidazole-4,5-dicarboxylate complexes of Cu/Co/Fe/Ni metal ions. The complexes have been characterized using powder X-ray diffraction, FTIR, and mass spectrometry. Thermal gravimetric analysis (TGA) established their thermal stability, enduring temperatures of up to 650 °C. The interaction of Bovine Serum Albumin (BSA) and DNA with these complexes was examined, revealing a significant binding affinity up to 70%. Fluorescence quenching experiments also showed the binding of complexes with biomolecules. These interactions were substantiated by molecular docking studies against the proteins 3v03 (BSA) and 1d28 (DNA), shedding light on the essential interactions driving their potential medicinal activity. The Cu complex displayed a notably high GSC score and a substantial area as determined through the Patch Dock server. Free radical interaction with 2,2-diphenylpicrylhydrazyl (DPPH) shows their antioxidant activity where Cu and Fe complexes expressed greater activity as compared to others. The catalytic properties of the compounds were assessed using p-nitrophenol (PNP) where the complexes exhibited reducing activity, leading to a conversion of over 90% of PNP into p-aminophenol. Analysis revealed a pseudo-second-order model closely aligned with experimental values, indicating second-order reduction kinetics.