Basic information
- CAS
81547-29-7- Standard SMILES
O=C1NC2(CN3CCC2CC3)C(=O)N1CN(Cc1ccccc1)c1ccccc1- InChIKey
CHPHBKYGPSWUQY-UHFFFAOYSA-N- Molecular formula
- C23H26N4O2
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.20557608
Names & identifiers
- Preferred name
- Spiro(1-azabicyclo(2.2.2)octane-3,4'-imidazolidine)-2',5'-dione, 1'-((phenyl(phenylmethyl)amino)methyl)-
- IUPAC
- 3'-[(N-benzylanilino)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
Names & synonyms
81547-29-7NSC363935NSC 363935Spiro(1-azabicyclo(2.2.2)octane-3,4'-imidazolidine)-2',5'-dione, 1'-((phenyl(phenylmethyl)amino)methyl)-NSC-363935Spiro[1-azabicyclo[2.2.2]octane-3,4'-imidazolidine]-2',5'-dione, 1'-[[phenyl(phenylmethyl)amino]methyl]-CHEMBL1966571NCI60_0033373-[(N-benzylanilino)methyl]spiro[imidazolidine-5,3'-quinuclidine]-2,4-dione
Database identifiers
- CAS
81547-29-7- PubChem CID
- 339031
- ChEMBL
CHEMBL1966571
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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