Basic information
- Standard SMILES
CCC(CC)c1ccc(Cl)c2nc3n(c12)CCCCN3c1c[nH]c(=O)cc1C- InChIKey
FRHMCXUCLPCLHB-UHFFFAOYSA-N- Molecular formula
- C22H27ClN4O
- Average molar mass
- 398.9 g/mol
Names & identifiers
- Preferred name
- 5-[10-Chloro-7-(1-ethylpropyl)-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazol-1-yl]-4-methylpyridin-2(1H)-one
- IUPAC
- 5-(10-chloro-7-pentan-3-yl-2,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-1-yl)-4-methyl-1H-pyridin-2-one
Names & synonyms
SCHEMBL3752722FRHMCXUCLPCLHB-UHFFFAOYSA-N5-[10-Chloro-7-(1-ethylpropyl)-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazol-1-yl]-4-methylpyridin-2(1H)-one
Database identifiers
- PubChem CID
- 57786378
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 659
Related reactions
2 records
Compound notes
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