2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine

C₁₃H₁₂N₄CAS 105650-23-5224.27 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers
H351 Suspected of causing cancer97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

Names and synonyms

6 names

2-Amino-1-methyl-6-phenylimidazo(4,5-B)pyridine
1H-Imidazo[4,5-b]pyridin-2-amine, 1-methyl-6-phenyl-
1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine
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 2,4-Diphenylimidazole670-83-734 % 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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