BI-187004
(4aR,9aS)-1-(3H-benzimidazole-5-carbonyl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-6-carbonitrile
Molecular Identity
BI-187004
(4aR,9aS)-1-(3H-benzimidazole-5-carbonyl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-6-carbonitrile
PubChem CID: 67223373
2D Structure
Properties
C21H18N4O
Molecular Formula
342.40
Molecular Weight
g/mol
342.1481
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
72.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
612
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
BI-1870041303515-32-3BI 187004280XKM6Z2K1H-Indeno(2,1-b)pyridine-6-carbonitrile, 1-(1H-benzimidazol-6-ylcarbonyl)-2,3,4,4a,9,9a-hexahydro-, (4aR,9aS)-RefChem:119605(4AR,9aS)-1-(1H-benzo[d]imidazole-5-carbonyl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine-6-carbonitrileUNII-280XKM6Z2Korb1297995SCHEMBL1950073CHEMBL3669417SCHEMBL26657986SCHEMBL30637267BDBM99396VVZNCSHIBODHMZ-UZLBHIALSA-N
Data from PubChem (NCBI)
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