chempirical

2-Amino-1-methyl-6-phenylimidazo(4,5-B)pyridine

C13H12N4CAS 105650-23-5224.27 g/mol

Open in Covalent MOL file
NHNHNN

Properties

Molecular formula
C13H12N4
Molar mass
224.27 g/mol
Exact mass
224.1062 Da
Melting point
322–324 °C
logP
2.05Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
105650-23-5
SMILES
Cn1c(=N)[nH]c2ncc(-c3ccccc3)cc21
InChIKey
UQVKZNNCIHJZLS-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)

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Names and synonyms

6 names
  • 1H-Imidazo[4,5-b]pyridin-2-amine, 1-methyl-6-phenyl-
  • 1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine
  • 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
  • PhIP
  • 2-Amino-1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridine
  • 1-Methyl-6-phenylimidazo[4,5-b]pyridin-2-amine

Work with 2-Amino-1-methyl-6-phenylimidazo(4,5-B)pyridine

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-Methyl-1H-benzimidazol-2-amine1622-57-748 % similar 2-Phenyl-4-methylimidazole827-43-036 % similar 1-Methyl-2-phenylindole3558-24-534 % similar 2-Iodo-5-phenylpyridine120281-56-330 % similar 5-Phenyl-2-pyridinamine33421-40-830 % similar

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

Same formula

2-(4-Aminophenyl)-5-aminobenzimidazole7621-86-5

Elsewhere

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