Basic information
- CAS
24396-93-8- Standard SMILES
O=c1ccccc2c1[nH]c(=O)n2Cc1ccccc1- InChIKey
ZPTAHPRABKEXAR-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- 2(1H)-Cycloheptimidazolone, 1-benzyl-4-hydroxy-
- IUPAC
- 1-benzyl-3H-cyclohepta[d]imidazole-2,4-dione
- English name
- 1-Benzyl-4-hydroxycycloheptimidazol-2(1H)-one
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.27
Names & synonyms
24396-93-84-HydroxybenhepazoneBRN 07517612(1H)-CYCLOHEPTIMIDAZOLONE, 1-BENZYL-4-HYDROXY-1-Benzyl-4-hydroxy-2(1H)-cycloheptimidazoline5-25-01-00271 (Beilstein Handbook Reference)DTXSID209472661-Benzyl-1,3-dihydrocyclohepta[d]imidazole-2,4-dione1-Benzyl-4-hydroxycycloheptimidazol-2(1H)-oneCycloheptimidazol-2(1H)-one, 1-benzyl-4-hydroxy- (8CI)
Database identifiers
- CAS
24396-93-8- PubChem CID
- 32355
- DTXSID
DTXSID20947266- Nikkaji
- J48.604C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Boiling point
- 480.4 · 480.4±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 8.24 · 8.24±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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