This study presents the synthesis and characterization of the compound 5,5'-(methylenebis(1,3,4-oxadiazole-5,2-diyl))bis(benzene-1,3-diamine), by ¹H NMR, ¹³C NMR and FTIR-ATR infrared spectroscopy and mass spectrometry. A theoretical study was carried out by a comprehensive and hierarchical methodology in order to evaluate the inhibitory behavior of the molecule 5,5'-(methylenebis(1,3,4-oxadiazole-5,2-diyl))bis(benzene-1,3-diamine) with respect to the corrosion of a Fe(110) type metal surface. Thus, examination of non-covalent interactions by NCI analysis. In addition, the study of adsorption on the metal surface was carried out by the Monte Carlo method.

This study presents the synthesis and characterization of the compound 5-chloro-2-(5-(2-methyl-1H-benzimidazol-5-yl)-1.3.4-oxadiazol-2-yl)aniline, by ¹H NMR, ¹³C NMR, FTIR-ATR infrared spectroscopy and mass spectrometry. The theoretical investigation was evaluated using density functional theory (DFT), electrostatic surface potential (ESP) analysis as well as Fukui indices, ADME/Tox properties, molecular docking and Molecular Dynamics studies of this molecule.