Basic information
- CAS
53072-49-4- Standard SMILES
CN1C(=O)C(n2cc[n+](C)c2)N=C(c2ccccc2)c2cc(Cl)ccc21.[Cl-]- InChIKey
AZRRQLXMFVYGTD-UHFFFAOYSA-M- Molecular formula
- C20H18Cl2N4O
- Average molar mass
- 401.3 g/mol
- Monoisotopic mass
- 400.0857666
Names & identifiers
- Preferred name
- 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-methyl-, chloride
- IUPAC
- 7-chloro-1-methyl-3-(3-methylimidazol-3-ium-1-yl)-5-phenyl-3H-1,4-benzodiazepin-2-one chloride
Names & synonyms
53072-49-41H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-methyl-, chlorideRefChem:1058088DTXSID809675811-(7-Chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-3-methyl-1H-imidazol-3-ium chloride
Database identifiers
- CAS
53072-49-4- PubChem CID
- 3040902
- DTXSID
DTXSID80967581
Properties
Computed structural properties
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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