Basic information
- Standard SMILES
CCOC(=O)c1nc(-c2ccccc2F)[nH]c1CCC12CC3CC(CC(C3)C1)C2- InChIKey
MZACDHCZJZZMPK-UHFFFAOYSA-N- Molecular formula
- C24H29FN2O2
- Average molar mass
- 396.5 g/mol
Names & identifiers
- Preferred name
- 5-(2-adamantan-1-yl-ethyl)-2-(2-fluoro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-[2-(1-adamantyl)ethyl]-2-(2-fluorophenyl)-1H-imidazole-4-carboxylate
Names & synonyms
SCHEMBL6159483MZACDHCZJZZMPK-UHFFFAOYSA-N5-(2-adamantan-1-yl-ethyl)-2-(2-fluoro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 54098710
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 570
Related reactions
1 records
Compound notes
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