Basic information
- CAS
54951-32-5- Standard SMILES
O=C1C(c2ccc(Cl)cc2)CCc2ccccc2N1CC1=NCCN1- InChIKey
XQKDTERCKFKPDY-UHFFFAOYSA-N- Molecular formula
- C20H20ClN3O
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.12949
Names & identifiers
- Preferred name
- 3-(p-Chlorophenyl)-1-(2-imidazolin-2-yl)methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
- IUPAC
- 3-(4-chlorophenyl)-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,5-dihydro-3H-1-benzazepin-2-one
- English name
- 2,3,4,5-Tetrahydro-3-(p-chlorophenyl)-1-[(2-imidazolin-2-yl)methyl]-1H-1-benzazepin-2-one
- Molecular formula
- C20H20ClN3O
- Molecular weight
- 353.85
Names & synonyms
54951-32-5BRN 07124773-(p-Chlorophenyl)-1-(2-imidazolin-2-yl)methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-3-(p-chlorophenyl)-1-(2-imidazolin-2-yl)methyl-DTXSID80970292DB-3021542,3,4,5-Tetrahydro-3-(p-chlorophenyl)-1-[(2-imidazolin-2-yl)methyl ]-1h-1-benzazepin-2-one3-(4-Chlorophenyl)-1-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one2,3,4,5-Tetrahydro-3-(p-chlorophenyl)-1-[(2-imidazolin-2-yl)methyl]-1H-1-benzazepin-2-one2H-1-Benzazepin-2-one, 3-(4-chlorophenyl)-1-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-1,3,4,5-tetrahydro-
Database identifiers
- CAS
54951-32-5- PubChem CID
- 41247
- DTXSID
DTXSID80970292- Nikkaji
- J149.235G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…