Basic information
- Standard SMILES
CCCCc1ncc(/C=C(\C(=O)O)c2cccs2)n1Cc1ccccc1Cl- InChIKey
IRCQFPGYAAFRGD-ATVHPVEESA-N- Molecular formula
- C21H21ClN2O2S
- Average molar mass
- 400.9 g/mol
Names & identifiers
- Preferred name
- (E)-3-[2-n-butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)-2-propenoic acid
- IUPAC
- (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-thiophen-2-ylprop-2-enoic acid
Names & synonyms
SCHEMBL6970978IRCQFPGYAAFRGD-ATVHPVEESA-N(E)-3-[2-n-butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)-2-propenoic acid
Database identifiers
- PubChem CID
- 69948967
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
2 records
Compound notes
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