Work

Hydrophobicity assessment of substituted imidazoles: Experimental log P values retrieved by high performance liquid chromatography

Year: 2025

Type: article

Abstract: Imidazole derivatives are a wide group of organic compounds with applications in chemistry, medicine, biology, and material science. The physicochemical properties of these compounds have been reported in databases and literature; however, data of the important hydrophobicity descriptor log P are limited. The water solubility of imidazoles used as ligands is critical in the design of materials for ambient and electronic applications. In this study, the related descriptor log k w,exper was obtained from reverse-phase high performance liquid chromatography (RP-HPLC) for a variety of alkyl and phenyl imidazoles and is supplied with the data article. Comparison with the calculated values of log P pred and log k w,pred from different sources is presented. Experimental values present a good linear relationship with log P pred, and differences between isomers are clear in cases where software yields the same value.

Source: Chemical Data Collections

DOI: 10.1016/j.cdc.2025.101191

Authors: María P. Elizalde-González, María R.G. Guevara-Villa, Emanuel Martínez-Peña, Alberto Quecholac-Rosales, Erick Ramírez

Institution: Benemérita Universidad Autónoma de Puebla

Language: English

Topic: Analytical Chemistry and Chromatography

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $1,330

Funder: Vicerrectoría de Investigación y Estudios de Posgrado, Benemérita Universidad Autónoma de Puebla