chempirical

1-[4-(1H-Imidazol-1-yl)phenyl]ethanone

C11H10N2OCAS 10041-06-2186.21 g/mol

Open in Covalent MOL file
ONN
Ketone

Properties

Molecular formula
C11H10N2O
Molar mass
186.21 g/mol
Exact mass
186.0793 Da
Melting point
112–114 °C
logP
2.07Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
10041-06-2
SMILES
CC(=O)c1ccc(-n2ccnc2)cc1
InChIKey
GAIQQJIMVVUTQN-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3

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Names and synonyms

12 names
  • Ethanone, 1-[4-(1H-imidazol-1-yl)phenyl]-
  • Acetophenone, 4′-imidazol-1-yl-
  • Ro 22-3581
  • 4′-Imidazolylacetophenone
  • N-(4-Acetylphenyl)imidazole
  • p-Imidazol-1-ylacetophenone
  • 1-[4-(1-Imidazolyl)phenyl]ethan-1-one
  • 4-(1-Imidazolyl)acetophenone
  • 4-(1H-Imidazol-1-yl)acetophenone
  • 1-(4-Imidazol-1-yl-phenyl)ethanone
  • 1-(4-Acetylphenyl)-1H-imidazole
  • 1-(4-(1H-Imidazol-1-yl)phenyl)ethan-1-one

Work with 1-[4-(1H-Imidazol-1-yl)phenyl]ethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Acetylpyridine1122-54-952 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-351 % similar 1-(4-Methoxyphenyl)-1H-imidazole10040-95-650 % similar 1-(4-Bromophenyl)imidazole10040-96-750 % similar 4-(1H-Imidazol-1-yl)benzaldehyde10040-98-950 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-850 % similar 1,4-Diacetylbenzene1009-61-650 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Methoxy-1H-indole-3-acetonitrile23084-35-7 2-Naphthoic acid hydrazide39627-84-4 1-Naphthoic hydrazide43038-45-5

Elsewhere

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