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

C10H7N3CAS 25372-03-6169.19 g/mol

Open in Covalent MOL file
NNN
Nitrile

Properties

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

Hazards

Danger
Acute Toxic (GHS06)

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

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

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 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-(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 (4-(1H-Imidazol-1-yl)phenyl)methanol86718-08-354 % 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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