Journal of Chemical and Pharmaceutical Research (ISSN : 0975-7384)

header
Reach Us reach to JOCPR whatsapp-JOCPR +44 1625708989
All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission System of respective journal.

Original Articles: 2011 Vol: 3 Issue: 4

Prediction of Henry's Law Constant of Benzimidazole derivatives Using Quantum Chemical calculation

Abstract

The benzimidazole nucleus is an important heterocyclic ring, and interest in the chemistry,synthesis and microbiology of this pharmacophore continues to be fuelled by its antifungal [1],antitubercular [2], antioxidant [3, 4], and antiallergic [5, 6] properties. In this study Henry’s law constants at T = 293.2K are calculated for some Benzimidazole and derivatives drugs in water by Hartree Fock methods at (HF/6-31+G** ) level of theory using the Poisson-Boltzmann solvation model.