Methyl 5-(2-(1H-benzimidazol-2-YL)-2-cyanovinyl)-2-furoate
Basic information
- CAS
892148-58-2- Standard SMILES
COC(=O)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1- InChIKey
NXVXRGUBWXJTHR-CSKARUKUSA-N- Molecular formula
- C16H11N3O3
- Average molar mass
- 293.28 g/mol
- Monoisotopic mass
- 293.08004122
Names & identifiers
- Preferred name
- Methyl 5-(2-(1H-benzimidazol-2-YL)-2-cyanovinyl)-2-furoate
- IUPAC
- methyl 5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-carboxylate
- English name
- Methyl 5-(2-(1H-benzimidazol-2-yl)-2-cyanovinyl)-2-furoate
- Molecular formula
- C16H11N3O3
- Molecular weight
- 293.28
Names & synonyms
METHYL 5-(2-(1H-BENZIMIDAZOL-2-YL)-2-CYANOVINYL)-2-FUROATEAKOS0244052922-Furancarboxylic acid, 5-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-, methyl ester
Database identifiers
- CAS
892148-58-2- PubChem CID
- 6042489
- EC Number
- 121-836-3
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 510
Physicochemical properties
- Boiling point
- 545.588 · 545.588±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.815 · 8.815±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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