2-Acetyl-4-methoxybenzimidazole
Basic information
- CAS
208261-87-4- Standard SMILES
COc1cccc2nc(C(C)=O)[nH]c12- InChIKey
DCOBBFHYVSMDKD-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
Names & identifiers
- Preferred name
- 2-Acetyl-4-methoxybenzimidazole
- IUPAC
- 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
- English name
- Ethanone, 1-(4-methoxy-1H-benzimidazol-2-yl)- (9CI)
- Molecular formula
- C10H10N2O2
- Molecular weight
- 190.2
Names & synonyms
208261-87-4SCHEMBL6952303SCHEMBL69523092-Acetyl-4-methoxybenzimidazoleDCOBBFHYVSMDKD-UHFFFAOYSA-NDB-276119ETHANONE, 1-(4-METHOXY-1H-BENZIMIDAZOL-2-YL)-Ethanone, 1-(7-methoxy-1H-benzimidazol-2-yl)-Ethanone, 1-(4-methoxy-1H-benzimidazol-2-yl)- (9CI)
Database identifiers
- CAS
208261-87-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 384.6 · 384.6±34.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 10.8 · 10.80±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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