5-butyl-methyl immidazole carboxylate 30

Ligand id: 6917

Name: 5-butyl-methyl immidazole carboxylate 30

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 55.12
Molecular weight 348.18
XLogP 7.92
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Agelis G, Resvani A, Durdagi S, Spyridaki K, Tůmová T, Slaninová J, Giannopoulos P, Vlahakos D, Liapakis G, Mavromoustakos T et al.. (2012)
The discovery of new potent non-peptide Angiotensin II AT1 receptor blockers: a concise synthesis, molecular docking studies and biological evaluation of N-substituted 5-butylimidazole derivatives.
Eur J Med Chem, 55: 358-74. [PMID:22889560]