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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 1,1'-Oxalyldiimidazole18637-83-748 % similar 1,1′-Carbonyldiimidazole530-62-148 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-444 % similar 4-Benzoylpyridine14548-46-041 % similar 1-Phenylimidazole7164-98-941 % similar 1-(Trifluoroacetyl)imidazole1546-79-841 % similar 1,1'-Thiocarbonyldiimidazole6160-65-239 % 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 3-Phenyl-1H-pyrazole-4-carbaldehyde26033-20-5 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-6 2-Hydroxy-3-phenylpyrazine2882-18-0 5-(Pyridin-2-yl)-2(1H)-pyridone381233-78-9

Elsewhere

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