4-(1H-Imidazol-1-yl)benzaldehyde

C10H8N2OCAS 10040-98-9172.19 g/mol

Open in Covalent MOL file
ONN
Aldehyde

Properties

Molecular formula
C10H8N2O
Molar mass
172.19 g/mol
Exact mass
172.0637 Da
Melting point
139–140 °C
logP
1.68Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
10040-98-9
SMILES
O=Cc1ccc(-n2ccnc2)cc1
InChIKey
DCICUQFMCRPKHZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-8H

Weigh it out

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

Names and synonyms

9 names
  • Benzaldehyde, 4-(1H-imidazol-1-yl)-
  • Benzaldehyde, p-imidazol-1-yl-
  • p-(1-Imidazolyl)benzaldehyde
  • 4-(Imidazol-1-yl)benzaldehyde
  • 1-(4-Formylphenyl)-1H-imidazole
  • 4-(3H-Imidazol-3-yl)benzaldehyde
  • N-(4-Formylphenyl)imidazole
  • 1-(4-Formylphenyl)imidazole
  • 4-(1H-Imidazo-1-yl)benzaldehyde

Work with 4-(1H-Imidazol-1-yl)benzaldehyde

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

4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl855766-92-660 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-356 % similar 1-Phenylimidazole7164-98-955 % similar 1-(4-Bromophenyl)imidazole10040-96-755 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-855 % similar 1-(4-Fluorophenyl)imidazole21441-24-755 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-355 % similar 1-(4-Methoxyphenyl)-1H-imidazole10040-95-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Imidazol-1-ylphenylmethanone10364-94-0 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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