1-Imidazol-1-yl-2-((4-methoxyphenyl)methyl)-3,3-dimethylbutan-1-one
Basic information
- CAS
110577-59-8- Standard SMILES
COc1ccc(CC(C(=O)n2ccnc2)C(C)(C)C)cc1- InChIKey
QWCHNEWXGLLASN-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2
- Average molar mass
- 286.37 g/mol
- Monoisotopic mass
- 286.16812795
Names & identifiers
- Preferred name
- 1-Imidazol-1-yl-2-((4-methoxyphenyl)methyl)-3,3-dimethylbutan-1-one
- IUPAC
- 1-imidazol-1-yl-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-1-one
Names & synonyms
110577-59-81-Imidazol-1-yl-2-((4-methoxyphenyl)methyl)-3,3-dimethylbutan-1-one89372-43-0SCHEMBL10941822DTXSID609117641H-Imidazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-1H-Imidazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-, (-)-99302-99-51-(1H-Imidazol-1-yl)-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-1-one
Database identifiers
- CAS
110577-59-8、89372-43-0、99302-99-5- PubChem CID
- 180744
- DTXSID
DTXSID60911764
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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