Basic information
- Standard SMILES
CC1(C)Oc2ccc(C#N)cc2C(n2ccnc2-c2ccc(Cl)cc2)C1O- InChIKey
RPJHOXWULXUNQZ-UHFFFAOYSA-N- Molecular formula
- C21H18ClN3O2
- Average molar mass
- 379.8 g/mol
Names & identifiers
- Preferred name
- 4-[2-(4-Chloro-phenyl)-imidazol-1-yl]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile
- IUPAC
- 4-[2-(4-chlorophenyl)imidazol-1-yl]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Names & synonyms
SCHEMBL483099RPJHOXWULXUNQZ-UHFFFAOYSA-N4-[2-(4-Chloro-phenyl)-imidazol-1-yl]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile
Database identifiers
- PubChem CID
- 66700179
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 583
Related reactions
3 records
Compound notes
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