1-(1h-Benzimidazol-1-Yl)propan-2-One
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Basic information
- CAS
294199-10-3- Standard SMILES
CC(=O)Cn1cnc2ccccc21- InChIKey
LKIVJBZMVMCCCL-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 1-(1h-Benzimidazol-1-Yl)propan-2-One
- IUPAC
- 1-(benzimidazol-1-yl)propan-2-one
- English name
- 2-Propanone,1-(1H-benzimidazol-1-yl)-(9CI)
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
294199-10-31-(1h-Benzimidazol-1-Yl)propan-2-One1-(1H-Benzo[d]imidazol-1-yl)propan-2-one1-(1H-BENZIMIDAZOL-1-YL)ACETONE1-(benzimidazol-1-yl)propan-2-one1-(1H-1,3-benzodiazol-1-yl)propan-2-oneMFCD121457932-Propanone,1-(1H-benzimidazol-1-yl)-(9CI)2-Propanone, 1-(1H-benzimidazol-1-yl)-SCHEMBL10881570ALBB-019622AKOS004910780
Show more names
1-(1h-benzoimidazol-1-yl)propan-2-oneLS-06309SY0891361-(1H-Benzo[d]imidazol-1-yl)-2-propanoneH32881Q274531372NZ
Database identifiers
- CAS
294199-10-3- PubChem CID
- 11159606
- Nikkaji
- J1.376.464F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 136 · 136-137 °C(Solv: toluene (108-88-3))
- Boiling point
- 328 · 328.0±44.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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