Basic information
- Standard SMILES
COC(=O)c1ccc(C=CCc2cncn2C)cc1-c1ccc(F)cc1- InChIKey
ZJWXSYCONQTQQW-UHFFFAOYSA-N- Molecular formula
- C21H19FN2O2
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.14305602
Names & identifiers
- Preferred name
- Methyl 4-[3-(1-methylimidazol-5-yl)prop-1-en-1-yl]-2-(4-fluorophenyl)benzoate
- IUPAC
- methyl 2-(4-fluorophenyl)-4-[3-(3-methylimidazol-4-yl)prop-1-enyl]benzoate
Names & synonyms
SCHEMBL7660882ZJWXSYCONQTQQW-UHFFFAOYSA-NMethyl 4-[3-(1-methylimidazol-5-yl)prop-1-en-1-yl]-2-(4-fluorophenyl)benzoate
Database identifiers
- PubChem CID
- 54550986
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
Related reactions
4 records
Compound notes
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