Basic information
- Standard SMILES
COC(=O)c1cc(-c2ncc(C(=O)N(C)C)[nH]2)c(C)cc1C- InChIKey
JSGDDHAOPILSEU-UHFFFAOYSA-N- Molecular formula
- C16H19N3O3
- Average molar mass
- 301.34 g/mol
Names & identifiers
- Preferred name
- Methyl 5-(5-(dimethylcarbamoyl)-1H-imidazol-2-yl)-2,4-dimethylbenzoate
- IUPAC
- methyl 5-[5-(dimethylcarbamoyl)-1H-imidazol-2-yl]-2,4-dimethylbenzoate
Names & synonyms
SCHEMBL12488112SCHEMBL30280772JSGDDHAOPILSEU-UHFFFAOYSA-NDB-386732Methyl 5-(5-(dimethylcarbamoyl)-1H-imidazol-2-yl)-2,4-dimethylbenzoateMethyl 5-[5-[(dimethylamino)carbonyl]-1H-imidazol-2-yl]-2,4-dimethylbenzoate1399183-03-9
Database identifiers
- PubChem CID
- 68288243
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Related reactions
2 records
Compound notes
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