6-(2-phenyl-1H-imidazol-1-yl)pyridin-2-amine

• ChemBase ID: 623658
• Molecular Formular: C14H12N4
• Molecular Mass: 236.27188
• Monoisotopic Mass: 236.1061964
• SMILES: n1(c(ncc1)c1ccccc1)c1nc(N)ccc1
• Canonical SMILES: Nc1cccc(n1)n1ccnc1c1ccccc1
• InChI: InChI=1S/C14H12N4/c15-12-7-4-8-13(17-12)18-10-9-16-14(18)11-5-2-1-3-6-11/h1-10H,(H2,15,17)
• InChIKey: QUXJYVQMOYVPOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-phenyl-1H-imidazol-1-yl)pyridin-2-amine
• IUPAC Traditional name: 6-(2-phenylimidazol-1-yl)pyridin-2-amine
• Synonyms: 6-(2-phenyl-1H-imidazol-1-yl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0274518
• LogD (pH = 7.4): 2.8737276
• Log P: 2.9034972
• Molar Refractivity: 92.2785 cm^3
• Polarizability: 27.273636 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.32
• LOG S: -2.9
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2