4-[2-(cyclopentyloxy)phenyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 754283
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: c12C(c3c(OC4CCCC4)cccc3)NCCc2[nH]cn1
• Canonical SMILES: C1CCC(C1)Oc1ccccc1C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C17H21N3O/c1-2-6-12(5-1)21-15-8-4-3-7-13(15)16-17-14(9-10-18-16)19-11-20-17/h3-4,7-8,11-12,16,18H,1-2,5-6,9-10H2,(H,19,20)
• InChIKey: SKRZYMFNVJMJDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.942841
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0274934
• LogD (pH = 7.4): 2.2047327
• Log P: 2.3592446
• Molar Refractivity: 82.2704 cm^3
• Polarizability: 32.129925 Å^3
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.14
• LOG S: -2.09
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 3