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

C₁₀H₇N₃CAS 25372-03-6169.19 g/mol

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Properties

Molecular formula: C₁₀H₇N₃
Molar mass: 169.19 g/mol
Exact mass: 169.0640 Da
logP: 1.74Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

25372-03-6

SMILES

C1=CC(=CC=C1C#N)N2C=CN=C2

InChIKey

GYFGZFJGMRRTTP-UHFFFAOYSA-N

InChI

InChI=1S/C10H7N3/c11-7-9-1-3-10(4-2-9)13-6-5-12-8-13/h1-6,8H

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Names and synonyms

1 names

Benzonitrile, p-imidazol-1-yl-

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

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

1-Phenylimidazole7164-98-960 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-356 % 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 4-(1H-Imidazol-1-yl)benzaldehyde10040-98-950 % similar

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

Same formula

3-(2H-Pyrazol-3-yl)benzonitrile149739-51-5

Elsewhere

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