1-(3-chlorophenyl)-4-(3-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}propyl)piperazine

• ChemBase ID: 786841
• Molecular Formular: C19H26ClN5
• Molecular Mass: 359.89624
• Monoisotopic Mass: 359.18767354
• SMILES: c12c([nH]cn1)CCN(C2)CCCN1CCN(c2cc(Cl)ccc2)CC1
• Canonical SMILES: Clc1cccc(c1)N1CCN(CC1)CCCN1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C19H26ClN5/c20-16-3-1-4-17(13-16)25-11-9-23(10-12-25)6-2-7-24-8-5-18-19(14-24)22-15-21-18/h1,3-4,13,15H,2,5-12,14H2,(H,21,22)
• InChIKey: GWHMMUWUEMJIOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)-4-(3-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}propyl)piperazine
• IUPAC Traditional name: 1-(3-chlorophenyl)-4-(3-{1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}propyl)piperazine
• Synonyms: 5-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.044533
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8202143
• LogD (pH = 7.4): 0.8359902
• Log P: 2.0297213
• Molar Refractivity: 104.5687 cm^3
• Polarizability: 39.668438 Å^3
• Polar Surface Area: 38.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.76
• LOG S: -3.17
• Polar Surface Area: 38.4 Å^2
• Rotatable Bonds: 5