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

Classification
Compound class Synthetic organic
IUPAC Name
5-butyl-1-[[4-(2-methylphenyl)phenyl]methyl]imidazole-2-carboxylic acid
Synonyms
compound 30 [PMID: 22889560] [1]
Database Links
GtoPdb PubChem SID 178103499
PubChem CID 73755250
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