In 2019,Journal of Molecular Structure included an article by Abdulazeez, Ismail; Khaled, Mazen; Al-Saadi, Abdulaziz A.. Quality Control of 2-Chloro-1H-benzo[d]imidazole. The article was titled 《Impact of electron-withdrawing and electron-donating substituents on the corrosion inhibitive properties of benzimidazole derivatives: A quantum chemical study》. The information in the text is summarized as follows:
The role of substituents in the enhancement of corrosion inhibition effectiveness in some organic compounds has been the subject of several studies in recent years. Understanding the relationship between corrosion inhibition performance and electronic properties of the mol. shall facilitate the design of efficient inhibitors and reduce the burden of exptl. trials involved. In this study, quantum chem. calculations using d. functional theory (DFT) method were performed on benzimidazole and its derivatives involving various electron-withdrawing and electron-releasing substituents. Several reactivity indicators, such as frontier orbitals, energy gaps, electronegativity, electrophilicity and global hardness were calculated and correlated with available exptl. data. Frontier orbital energy gap predicted 2-nitrobenzimidazole to possess higher anti-corrosion properties, while electronegativity, electrophilicity and global hardness predicted 2-aminobenzimidazole to exhibit higher corrosion inhibition tendency. Results of mol. level interaction studies predicted that the adsorption of the mols. over the iron surface would take place preferentially through the nitrogen atoms of the imidazole ring and the carbon atoms of the benzene ring, resulting in the formation of Fe-N and Fe-C bonds with 2.00-2.40 Å bond distances which lie within the range of the chemisorption interaction. In the part of experimental materials, we found many familiar compounds, such as 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Quality Control of 2-Chloro-1H-benzo[d]imidazole)
2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Quality Control of 2-Chloro-1H-benzo[d]imidazole
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem