Basic information
- Standard SMILES
Cc1cc(C)c(-c2nc(C(=O)O)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)n1- InChIKey
HLJZTKUZIQZBDP-UHFFFAOYSA-N- Molecular formula
- C24H31N3O2
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- 5-(2-Adamantan-1-yl-ethyl)-2-(2,4,6-trimethyl-pyridine-3-yl)-1H-imidazole-4-carboxylic acid
- IUPAC
- 5-[2-(1-adamantyl)ethyl]-2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-4-carboxylic acid
Names & synonyms
SCHEMBL6158974HLJZTKUZIQZBDP-UHFFFAOYSA-N5-(2-Adamantan-1-yl-ethyl)-2-(2,4,6-trimethyl-pyridine-3-yl)-1H-imidazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 18405673
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 596
Related reactions
4 records
Compound notes
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