Benzoic acid, 4-(4,5-dihydro-4-((2-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-
Basic information
- CAS
100037-29-4- Standard SMILES
COc1ccccc1/C=C1/N=C(C)N(c2ccc(C(=O)O)cc2)C1=O- InChIKey
ZFQRCECMQOVODU-LFIBNONCSA-N- Molecular formula
- C19H16N2O4
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.111007
Names & identifiers
- Preferred name
- Benzoic acid, 4-(4,5-dihydro-4-((2-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-
- IUPAC
- 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
Names & synonyms
Benzoic acid, 4-(4,5-dihydro-4-((2-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-100037-29-4RefChem:10791144-(4,5-Dihydro-4-((2-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)benzoic acid
Database identifiers
- CAS
100037-29-4- PubChem CID
- 6447765
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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