1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride
Basic information
- CAS
111076-89-2- Standard SMILES
CC(C)(C(=O)c1ccccc1)n1ccnc1.Cl- InChIKey
HNRWOTZBEMETKB-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O
- Average molar mass
- 250.72 g/mol
- Monoisotopic mass
- 250.0872908
Names & identifiers
- Preferred name
- 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride
- IUPAC
- 2-imidazol-1-yl-2-methyl-1-phenylpropan-1-one;hydrochloride
Names & synonyms
NKI 9994111076-89-2DTXSID301494911-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, hydrochloride (1:1)2-(1H-Imidazol-1-yl)-2-methyl-1-phenylpropan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
111076-89-2- PubChem CID
- 183159
- DTXSID
DTXSID30149491
Properties
Computed structural properties
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
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Related reactions
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Compound notes
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