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Basic information
- Standard SMILES
CCN(CC)c1cccc2nc3n(c12)CC(O)CCN3c1ccc(Cl)cc1Cl- InChIKey
SPUYFZREBWESST-UHFFFAOYSA-N- Molecular formula
- C21H24Cl2N4O
- Average molar mass
- 419.3 g/mol
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorophenyl)-7-(diethylamino)-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazol-4-ol
- IUPAC
- 1-(2,4-dichlorophenyl)-7-(diethylamino)-2,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-4-ol
Names & synonyms
SCHEMBL3728375SPUYFZREBWESST-UHFFFAOYSA-N1-(2,4-Dichlorophenyl)-7-(diethylamino)-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazol-4-ol
Database identifiers
- PubChem CID
- 57785807
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 523
Related reactions
6 records
Compound notes
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