Basic information
- Standard SMILES
CCOC(=O)c1c(C)nc(C#Cc2cccc(OC)c2)n1C- InChIKey
FBAQJTNEFQLKDI-UHFFFAOYSA-N- Molecular formula
- C17H18N2O3
- Average molar mass
- 298.34 g/mol
Names & identifiers
- Preferred name
- 2-(3-Methoxy-phenylethynyl)-3,5-dimethyl-3H-imidazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-[2-(3-methoxyphenyl)ethynyl]-3,5-dimethylimidazole-4-carboxylate
Names & synonyms
SCHEMBL6198861FBAQJTNEFQLKDI-UHFFFAOYSA-N2-(3-Methoxy-phenylethynyl)-3,5-dimethyl-3H-imidazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 9835890
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
4 records
Compound notes
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