2,2-Dichloro-1-(2-methyl-1H-benzo[d]imidazol-1-yl)ethanone
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Basic information
- CAS
90800-06-9- Standard SMILES
Cc1nc2ccccc2n1C(=O)C(Cl)Cl- InChIKey
LWLUBBBLZLKJCA-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2N2O
- Average molar mass
- 243.09 g/mol
Names & identifiers
- Preferred name
- 2,2-Dichloro-1-(2-methyl-1H-benzo[d]imidazol-1-yl)ethanone
- IUPAC
- 2,2-dichloro-1-(2-methylbenzimidazol-1-yl)ethanone
- English name
- Benzimidazole, 1-(dichloroacetyl)-2-methyl- (7CI)
- Molecular formula
- C10H8Cl2N2O
- Molecular weight
- 243.09
Names & synonyms
90800-06-92,2-Dichloro-1-(2-methyl-1H-benzo[d]imidazol-1-yl)ethanoneDB-285526BENZIMIDAZOLE, 1-(DICHLOROACETYL)-2-METHYL-Benzimidazole, 1-(dichloroacetyl)-2-methyl- (7CI)Ethanone, 2,2-dichloro-1-(2-methyl-1H-benzimidazol-1-yl)-
Database identifiers
- CAS
90800-06-9
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 357.4 · 357.4±52.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 3.91 · 3.91±0.22(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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