1-[(4R,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine
Basic information
- CAS
80821-35-8- Standard SMILES
O=[N+]([O-])c1ccc(N2C(c3ccccc3)=N[C@@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1- InChIKey
WJRWIWYSOBDDOG-LOSJGSFVSA-N- Molecular formula
- C25H31N5O2
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.24777525
Names & identifiers
- Preferred name
- 1-[(4R,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine
- IUPAC
- 1-[(4R,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine
Names & synonyms
NSC34399880821-35-8DTXSID70319358NSC-3439981,1'-[(4R,5R)-1-(4-Nitrophenyl)-2-phenyl-4,5-dihydro-1H-imidazole-4,5-diyl]dipiperidine
Database identifiers
- CAS
80821-35-8- PubChem CID
- 335351
- DTXSID
DTXSID70319358
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 654
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Compound notes
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