6-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]hexan-1-ol

• ChemBase ID: 695157
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(C2)CCCCCCO
• Canonical SMILES: OCCCCCCN1CCc2c(C1)nc([nH]2)c1cccc(c1)OC
• InChI: InChI=1S/C19H27N3O2/c1-24-16-8-6-7-15(13-16)19-20-17-9-11-22(14-18(17)21-19)10-4-2-3-5-12-23/h6-8,13,23H,2-5,9-12,14H2,1H3,(H,20,21)
• InChIKey: XOKUMTWJHKPKOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]hexan-1-ol
• IUPAC Traditional name: 6-[2-(3-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]hexan-1-ol
• Synonyms: 6-[2-(3-methoxyphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]hexan-1-ol

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 1.4632121
• Log P: 2.2522893
• Molar Refractivity: 106.8999 cm^3
• Polarizability: 37.8393 Å^3
• Polar Surface Area: 61.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 12.192573
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.3861815

供应商提供(Chembridge)

• Log P: 2.55
• LOG S: -2.77
• Polar Surface Area: 61.38 Å^2
• Rotatable Bonds: 8
• H Acceptors: 4
• H Donor: 2