Basic information
- Standard SMILES
OC(C(c1cccc(Cl)c1)n1ccnc1)C12CC3CC(CC(C3)C1)C2- InChIKey
HAJXRRRYUVSTRC-UHFFFAOYSA-N- Molecular formula
- C21H25ClN2O
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.1655411
Names & identifiers
- Preferred name
- 1-(1-Adamantyl)-2-(3-chlorophenyl)-2-(1-imidazolyl)-ethanol
- IUPAC
- 1-(1-adamantyl)-2-(3-chlorophenyl)-2-imidazol-1-ylethanol
Names & synonyms
SCHEMBL9748188HAJXRRRYUVSTRC-UHFFFAOYSA-N1-(1-adamantyl)-2-(3-chlorophenyl)-2-(1-imidazolyl)-ethanol
Database identifiers
- PubChem CID
- 15052888
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Related reactions
4 records
Compound notes
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