5-butyl-4-(4-methoxy-2-methylphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 569345
• Molecular Formular: C18H25N3O
• Molecular Mass: 299.4106
• Monoisotopic Mass: 299.19976244
• SMILES: c12C(c3c(cc(cc3)OC)C)N(CCc1[nH]cn2)CCCC
• Canonical SMILES: CCCCN1CCc2c(C1c1ccc(cc1C)OC)nc[nH]2
• InChI: InChI=1S/C18H25N3O/c1-4-5-9-21-10-8-16-17(20-12-19-16)18(21)15-7-6-14(22-3)11-13(15)2/h6-7,11-12,18H,4-5,8-10H2,1-3H3,(H,19,20)
• InChIKey: HYWUMGLXYZHLPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.939061
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5580882
• LogD (pH = 7.4): 3.031354
• Log P: 3.2249112
• Molar Refractivity: 90.0667 cm^3
• Polarizability: 34.629032 Å^3
• Polar Surface Area: 41.15 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: 3.0
• LOG S: -3.95
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 5