chempirical

1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone

C11H8Cl2N2OCAS 46503-52-0255.10 g/mol

Open in Covalent MOL file
ONNClCl
Aryl halideKetone

Properties

Molecular formula
C11H8Cl2N2O
Molar mass
255.10 g/mol
Exact mass
254.0014 Da
Melting point
76–78 °C
logP
3.07Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
46503-52-0
SMILES
O=C(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIKey
YAEYBUZMILPYLT-UHFFFAOYSA-N
InChI
InChI=1S/C11H8Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Ethanone, 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-
  • 1-(2,4-Dichlorophenacyl)imidazole
  • 2′,4′-Dichloro-2-(imidazol-1-yl)acetophenone
  • 1-(2,4-Dichlorobenzoylmethyl)imidazole
  • 1-(2,4-Dichlorophenyl)-2-(1H-imidazolyl)ethanone
  • 1-(2,4-Dichlorophenyl)-2-imidazol-1-ylethanone
  • 2,4-Dichlorophenyl (1,3-imidazole-1-yl)methyl ketone

Work with 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)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

Oxiconazole64211-45-662 % similar 2,2′,4′-Trichloroacetophenone4252-78-253 % similar Oxiconazole nitrate64211-46-752 % similar 2,4-Dichlorophenacyl bromide2631-72-352 % similar 1-(2,4-Dichlorophenyl)-1-propanone37885-41-952 % similar (±)-α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol24155-42-850 % similar 1-(2,4-Dichlorophenyl)-1-butanone66353-47-750 % similar 1-(2,4-Dichlorophenyl)-1-pentanone61023-66-348 % similar

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

Elsewhere

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