5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 567350
• Molecular Formular: C16H19N3
• Molecular Mass: 253.34216
• Monoisotopic Mass: 253.15789762
• SMILES: c12c([nH]cn1)CCN(C2)C1Cc2c(CC1)cccc2
• Canonical SMILES: c1ccc2c(c1)CC(CC2)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C16H19N3/c1-2-4-13-9-14(6-5-12(13)3-1)19-8-7-15-16(10-19)18-11-17-15/h1-4,11,14H,5-10H2,(H,17,18)
• InChIKey: FCWGGPJPKYLYFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.044293
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.13799037
• LogD (pH = 7.4): 1.6356438
• Log P: 2.166191
• Molar Refractivity: 77.2792 cm^3
• Polarizability: 29.474146 Å^3
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.28
• LOG S: -1.99
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 1