compound 30 [PMID: 22239545]

Ligand id: 8749

Name: compound 30 [PMID: 22239545]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 66.87
Molecular weight 255.08
XLogP 4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
Database Links
ChEMBL Ligand CHEMBL2019024
PubChem CID 3012527
Search Google for chemical match using the InChIKey RRLQDVNNRUSNKR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RRLQDVNNRUSNKR
Search UniChem for chemical match using the InChIKey RRLQDVNNRUSNKR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RRLQDVNNRUSNKR
Comments
Compound 30 was designed to inhibit cytochrome P450 2C19 (CYP2C19) [1]. It is a structural analogue of omeprazole.