Basic information
- Standard SMILES
CCC(C)N1C=C(/C=C(\Cc2ccccc2)C(=O)O)N(Cc2ccc(C(=O)O)cc2Cl)C1- InChIKey
MRURBJVJUJQPKI-CIAFOILYSA-N- Molecular formula
- C25H27ClN2O4
- Average molar mass
- 454.9 g/mol
Names & identifiers
- Preferred name
- (E)-3-2-n-Butyl-1-{(4-carboxy-2-chlorophenyl)methyl}-1H-imidazol-5-yl-2-benzyl-2-propenoic Acid
- IUPAC
- 4-[[3-butan-2-yl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]-2H-imidazol-1-yl]methyl]-3-chlorobenzoic acid
Names & synonyms
MRURBJVJUJQPKI-CIAFOILYSA-N(E)-3-2-n-Butyl-1-{(4-carboxy-2-chlorophenyl)methyl}-1H-imidazol-5-yl-2-benzyl-2-propenoic Acid
Database identifiers
- PubChem CID
- 86747876
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 731
Related reactions
1 records
Compound notes
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