chempirical

1-Phenylimidazole

C9H8N2CAS 7164-98-9144.18 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C9H8N2
Molar mass
144.18 g/mol
Exact mass
144.0687 Da
logP
1.87Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
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
7164-98-9
SMILES
C1=CC=C(C=C1)N2C=CN=C2
InChIKey
SEULWJSKCVACTH-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H

Weigh it out

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

Work with 1-Phenylimidazole

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'-biphenyl855766-92-668 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-363 % similar 1,3,5-Tri(1H-imidazol-1-yl)benzene528543-96-663 % similar 1-(4-Bromophenyl)imidazole10040-96-761 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-861 % similar 1-(4-Fluorophenyl)imidazole21441-24-761 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-361 % similar 4-(1H-Imidazol-1-yl)benzonitrile25372-03-660 % similar

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

Same formula

5-Aminoisoquinoline1125-60-6 1-Phenylpyrazole1126-00-7 7-Indolinecarbonitrile115661-82-0 5-Methylquinoxaline13708-12-8 1-Isoquinolinamine1532-84-9 2-Methyl-[1,8]naphthyridine1569-16-0 4-Isoquinolinamine23687-25-4 6-Aminoisoquinoline23687-26-5

Elsewhere

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