chempirical

4-Phenylimidazole

C9H8N2CAS 670-95-1144.18 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C9H8N2
Molar mass
144.18 g/mol
Exact mass
144.0687 Da
Melting point
132 °C
logP
2.08Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
670-95-1
SMILES
c1ccc(-c2cnc[nH]2)cc1
InChIKey
XHLKOHSAWQPOFO-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)

Weigh it out

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

Names and synonyms

8 names
  • 1H-Imidazole, 5-phenyl-
  • Imidazole, 4-phenyl-
  • 1H-Imidazole, 4-phenyl-
  • 5-Phenyl-1H-imidazole
  • 4(5)-Phenylimidazole
  • 5-Phenylimidazole
  • 4-Phenyl-1H-imidazole
  • NSC 195337

Work with 4-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

3-(1H-Imidazol-5-yl)pyridine51746-85-167 % similar 3-Phenylpyridine1008-88-439 % similar 4,5-Diphenylimidazole668-94-039 % similar 4-Phenylpyridine939-23-138 % similar 2-Phenylimidazole670-96-237 % similar Biphenyl92-52-436 % similar 5-Chloro-1H-imidazole15965-31-836 % similar 4-Bromoimidazole2302-25-236 % 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 4-Isoquinolinamine23687-25-4 8-Isoquinolinamine23687-27-6 3-Phenylpyrazole2458-26-6

Elsewhere

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