HPLC of Formula: 2208-59-5. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 2-(Pyridin-4-yl)-1H-benzo[d]imidazole, is researched, Molecular C12H9N3, CAS is 2208-59-5, about Quantitative structure-activity relationships (QSAR) of smooth muscle relaxation and 2-substituted, benzimidazole derivatives. Author is Buyukbingol, Erdem; Safak, Cihat; Ozturk, Yusuf; Sahin, M. Fethi.
A series of the 2-substituted benzimidazole derivatives were tested for smooth muscle relaxation activity in rats. The pD2 and potency values were then analyzed in terms of hydrophobic (logP), electronic (dipole moment), and stereochem. (νw) factors by linear and multiple regression anal. The activity is depended parabolically on logP with the 2 other factors involved in the regression model. A correlation of pD2 with dipole moment was observed In all other model attempts the nonsignificant correlation led to suggest that mol. shape and size of the compounds would be unimportant in their smooth muscle relaxation activity in term of νw.
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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles