Basic information
- CAS
97805-07-7- Standard SMILES
Cc1c(C)c(C(=O)Cn2ccnc2)c(C)c(C)c1CC(=O)n1ccnc1- InChIKey
DXXGVUQJLGGWMJ-UHFFFAOYSA-N- Molecular formula
- C20H22N4O2
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.17427596
Names & identifiers
- Preferred name
- Acetophenone, 4'-((1-imidazolylcarbonyl)methyl)-2-(1-imidazolyl)-2',3',5',6'-tetramethyl-
- IUPAC
- 1-imidazol-1-yl-2-[4-(2-imidazol-1-ylacetyl)-2,3,5,6-tetramethylphenyl]ethanone
Names & synonyms
97805-07-7Acetophenone, 4'-((1-imidazolylcarbonyl)methyl)-2-(1-imidazolyl)-2',3',5',6'-tetramethyl-4'-((1-Imidazolylcarbonyl)methyl)-2-(1-imidazolyl)-2',3',5',6'-tetramethylacetophenoneDTXSID00243258RefChem:316941DTXCID001657491-imidazol-1-yl-2-[4-(2-imidazol-1-ylacetyl)-2,3,5,6-tetramethylphenyl]ethanone1-(1H-Imidazol-1-yl)-2-{4-[(1H-imidazol-1-yl)acetyl]-2,3,5,6-tetramethylphenyl}ethan-1-oneCID57320, LS-13603, 4-((1-Imidazolylcarbonyl)methyl)-2-(1-imidazolyl)-2,3,5,6-tetramethylacetophenone, Acetophenone, 4-((1-imidazolylcarbonyl)methyl)-2-(1-imidazolyl)-2,3,5,6-tetramethyl-, ACETOPHENONE, 4-((1-IMIDAZOLYLCARBONYL)METHYL)-2-(1-IMIDAZOLYL)-2,3,5,6-TET, 97805-07-7
Database identifiers
- CAS
97805-07-7- PubChem CID
- 57320
- DTXSID
DTXSID00243258- Nikkaji
- J90.758H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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