chempirical

1H-Imidazol-1-ylphenylmethanone

C10H8N2OCAS 10364-94-0172.19 g/mol

Open in Covalent MOL file
ONN

Properties

Molecular formula
C10H8N2O
Molar mass
172.19 g/mol
Exact mass
172.0637 Da
Melting point
19–20 °C
logP
1.57Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
10364-94-0
SMILES
O=C(c1ccccc1)n1ccnc1
InChIKey
JEGIFBGJZPYMJS-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Names and synonyms

6 names
  • Methanone, 1H-imidazol-1-ylphenyl-
  • Imidazole, 1-benzoyl-
  • 1H-Imidazole, 1-benzoyl-
  • N-Benzoylimidazole
  • 1-Benzoylimidazole
  • 1-Benzoyl-1H-imidazole

Work with 1H-Imidazol-1-ylphenylmethanone

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

1H-Imidazol-1-yl(2,3,4,5,6-pentafluorophenyl)methanone75641-06-453 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-444 % similar 4-Benzoylpyridine14548-46-041 % similar 1-(Trifluoroacetyl)imidazole1546-79-841 % similar Thiocarbonyldiimidazole6160-65-239 % similar 3-(1H-Imidazol-1-yl)benzoic acid108035-47-839 % similar 1-Benzylimidazole4238-71-538 % similar 1-(tert-Butoxycarbonyl)imidazole49761-82-238 % similar

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

Same formula

4-(1H-Imidazol-1-yl)benzaldehyde10040-98-9 2-(1H-Pyrazol-1-yl)benzaldehyde138479-47-7 6-Phenyl-3(2H)-pyridazinone2166-31-6 1-(2-Quinoxalinyl)ethanone25594-62-1 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-6

Elsewhere

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