Basic information
- Standard SMILES
CCN(CC)c1cccc2nc3n(c12)CC(=O)CCN3c1ccc(Cl)cc1Cl- InChIKey
XUCLSYOTKLBSSD-UHFFFAOYSA-N- Molecular formula
- C21H22Cl2N4O
- Average molar mass
- 417.3 g/mol
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorophenyl)-7-(diethylamino)-2,3-dihydro-1H-[1,3]diazepino[1,2-a]benzimidazol-4(5H)-one
- IUPAC
- 1-(2,4-dichlorophenyl)-7-(diethylamino)-3,5-dihydro-2H-[1,3]diazepino[1,2-a]benzimidazol-4-one
Names & synonyms
SCHEMBL3751022XUCLSYOTKLBSSD-UHFFFAOYSA-N1-(2,4-Dichlorophenyl)-7-(diethylamino)-2,3-dihydro-1H-[1,3]diazepino[1,2-a]benzimidazol-4(5H)-one
Database identifiers
- PubChem CID
- 57786271
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
2 records
Compound notes
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