Basic information
- CAS
23458-50-6- Standard SMILES
CC(C)C(=O)C(C)(C)c1nc2ccccc2[nH]1- InChIKey
WIHKPWWWRFYGJH-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- 2-(1H-benzimidazol-2-yl)-2,4-dimethylpentan-3-one
- IUPAC
- 2-(1H-benzimidazol-2-yl)-2,4-dimethylpentan-3-one
- English name
- 3-Pentanone, 2-(1H-benzimidazol-2-yl)-2,4-dimethyl-
- Molecular formula
- C14H18N2O
- Molecular weight
- 230.31
Names & synonyms
2-(1H-benzimidazol-2-yl)-2,4-dimethylpentan-3-one23458-50-6DTXSID60310758RefChem:249897DTXCID30261884NSC231576NSC-2315762-(1H-benzimidazol-2-yl)-2,4-dimethyl-3-pentanone2-(1H-1,3-Benzimidazol-2-yl)-2,4-dimethylpentan-3-one3-Pentanone, 2-(1H-benzimidazol-2-yl)-2,4-dimethyl-
Database identifiers
- CAS
23458-50-6- PubChem CID
- 314286
- DTXSID
DTXSID60310758
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 408.4 · 408.4±28.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- pka
- 11.41 · 11.41±0.10(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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