6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-yl 2-furoate
Basic information
- CAS
210640-00-9- Standard SMILES
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2cc1OC(=O)c1ccco1- InChIKey
SLFWEBSERZWSDQ-UHFFFAOYSA-N- Molecular formula
- C24H18N2O5
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.12157168
Names & identifiers
- Preferred name
- 6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-yl 2-furoate
- IUPAC
- [6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] furan-2-carboxylate
- English name
- 6-ethyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-7-yl furan-2-carboxylate
- Molecular formula
- C24H18N2O5
- Molecular weight
- 414.41
Names & synonyms
Oprea1_263770Oprea1_378632STL297830AKOS0221098236-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-yl 2-furoate6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-yl furan-2-carboxylate6-ethyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-7-yl furan-2-carboxylate2-Furancarboxylic acid, 6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-7-yl ester
Database identifiers
- CAS
210640-00-9- PubChem CID
- 980792
- EC Number
- 151-086-2
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 739
Physicochemical properties
- Boiling point
- 645.9 · 645.9±65.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 4.66 · 4.66±0.10(Predicted)
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Compound notes
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