Weight loss, Potentiodynamic polarization and EIS measurement were used to study the inhibition efficiency of 1,2-bis(4-chlorobenzylidene) Azine (AZI) as an inhibitor of copper corrosion. Results showed a mixed type of inhibition and an increase in the resistance of charge transfer due to the molecules absorption of the inhibiting agent on the copper surface. The observation by an electronic microscope (MEB) and analysis using the spectrometry of energy dispersion (EDS) confirms the presence of a film of the inhibiting agent. Quantum chemical calculation and molecular dynamics simulation were employed to explore the mechanism of inhibition of AZI. (C) 2018 Elsevier B.V. All rights reserved.