Basic information
- Standard SMILES
OCc1cn2c(n1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2- InChIKey
ONTBETCFOAAWOQ-UHFFFAOYSA-N- Molecular formula
- C18H14ClN3O
- Average molar mass
- 323.8 g/mol
- Monoisotopic mass
- 323.0825398
Names & identifiers
- Preferred name
- 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-2-methanol
- IUPAC
- (8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-2-yl)methanol
Names & synonyms
SCHEMBL7374809ONTBETCFOAAWOQ-UHFFFAOYSA-N8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-2-methanol
Database identifiers
- PubChem CID
- 21265993
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
1 records
Compound notes
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