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The compound ability of 5, 5-diphenylimidazolidine-2, 4-dione (PID) against Mild steel corrosion in 1 M HCl solution was investigated by various techniques. It is found that this compound is an effective inhibitor against corrosion which its inhibition efficiency increases with its concentration. The potentiodynamic polarization curves indicated that PID acts as mixed inhibitor. In addition, these results were confirmed by the electrochemical impedance spectroscopy where the resistance transfer of PID increases by its concentration. Thus, the inhibitor adsorption which is studied on the Mild steel surface conforms to the Langmuir adsorption isotherm. On the other hand, the quantum chemical parameters were calculated by using the density functional theory (DFT) method with the 6-31G/B3LYP base (d, p) and Monte Carlo Simulation. It is shown that PID adsorbs in parallel ways on the metal surface of low energy iron. Finally, the correlation between theoretical and experimental results is in good agreement.