2-[5-(2-phenylethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine

• ChemBase ID: 720630
• Molecular Formular: C19H20N4
• Molecular Mass: 304.3889
• Monoisotopic Mass: 304.16879666
• SMILES: c12C(N(CCc1[nH]cn2)CCc1ccccc1)c1ncccc1
• Canonical SMILES: c1ccc(cc1)CCN1CCc2c(C1c1ccccn1)nc[nH]2
• InChI: InChI=1S/C19H20N4/c1-2-6-15(7-3-1)9-12-23-13-10-16-18(22-14-21-16)19(23)17-8-4-5-11-20-17/h1-8,11,14,19H,9-10,12-13H2,(H,21,22)
• InChIKey: GKBHONHOMUPVNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(2-phenylethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine
• IUPAC Traditional name: 2-[5-(2-phenylethyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine
• Synonyms: 5-(2-phenylethyl)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.919698
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6409127
• LogD (pH = 7.4): 2.6505773
• Log P: 2.7265742
• Molar Refractivity: 91.5274 cm^3
• Polarizability: 35.297882 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.5
• LOG S: -1.4
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 4