Basic information
- CAS
100067-42-3- Standard SMILES
CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccc(C(=O)O)cc1- InChIKey
CUXBHOBFUMCXSB-PDGQHHTCSA-N- Molecular formula
- C20H19N3O3
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.14264148
Names & identifiers
- Preferred name
- Benzoic acid, 4-(4,5-dihydro-4-((4-(dimethylamino)phenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-
- IUPAC
- 4-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
Names & synonyms
100067-42-3Benzoic acid, 4-(4,5-dihydro-4-((4-(dimethylamino)phenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-RefChem:1079115p-(4-(p-(Dimethylamino)benzylidene)-2-methyl-5-oxo-2-imidazolin-1-yl)benzoic acidBenzoic acid, p-(4-(p-(dimethylamino)benzylidene)-2-methyl-5-oxo-2-imidazolin-1-yl)-
Database identifiers
- CAS
100067-42-3- PubChem CID
- 6435580
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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