Basic information
- Standard SMILES
Cc1cc(C)c(-c2ncc([C@@H]3CCCO3)[nH]2)cc1C(=O)O- InChIKey
NPVQGEIJWDFHJA-AWEZNQCLSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
Names & identifiers
- Preferred name
- (S)-2,4-Dimethyl-5-(5-(tetrahydrofuran-2-yl)-1H-imidazol-2-yl)benzoic acid
- IUPAC
- 2,4-dimethyl-5-[5-[(2S)-oxolan-2-yl]-1H-imidazol-2-yl]benzoic acid
Names & synonyms
SCHEMBL12488247NPVQGEIJWDFHJA-AWEZNQCLSA-N(S)-2,4-Dimethyl-5-(5-(tetrahydrofuran-2-yl)-1H-imidazol-2-yl)benzoic acid
Database identifiers
- PubChem CID
- 68288347
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
1 records
Compound notes
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