compound 41 [PMID: 23434029]   Click here for help

GtoPdb Ligand ID: 6420

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 59.29
Molecular weight 324.14
XLogP 3.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)n1c(C)nc(c1C)C(=O)Nc1cccc(n1)C
Isomeric SMILES Fc1ccc(cc1)n1c(C)nc(c1C)C(=O)Nc1cccc(n1)C
InChI InChI=1S/C18H17FN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)
InChI Key YQFYIHPLHNEXNE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(4-fluorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxamide
Database Links Click here for help
ChEMBL Ligand CHEMBL2346725
GtoPdb PubChem SID 178103036
PubChem CID 71580330
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UniChem Connectivity Search for chemical match using the InChIKey YQFYIHPLHNEXNE-UHFFFAOYSA-N