Basic information
- CAS
3300-64-9- Standard SMILES
Clc1ccc(C2CCc3ccccc3N(Cc3ncc[nH]3)C2)cc1- InChIKey
XEAJEFFYARBVNK-UHFFFAOYSA-N- Molecular formula
- C20H20ClN3
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.1345753
Names & identifiers
- Preferred name
- 3-(4-chlorophenyl)-1-(1H-imidazol-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine
- IUPAC
- 3-(4-chlorophenyl)-1-(1H-imidazol-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine
Names & synonyms
3-(4-chlorophenyl)-1-(1H-imidazol-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepineDTXSID902746173-(4-Chlorophenyl)-1-[(1H-imidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepine
Database identifiers
- CAS
3300-64-9- PubChem CID
- 18697
- DTXSID
DTXSID90274617
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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