N-tert-butyl-3-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}propanamide

• ChemBase ID: 437124
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: n1c2c([nH]c1c1ccccc1)CCN(C2)CCC(=O)NC(C)(C)C
• Canonical SMILES: O=C(NC(C)(C)C)CCN1CCc2c(C1)nc([nH]2)c1ccccc1
• InChI: InChI=1S/C19H26N4O/c1-19(2,3)22-17(24)10-12-23-11-9-15-16(13-23)21-18(20-15)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,21)(H,22,24)
• InChIKey: DPSNRFFWQGZQBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-3-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}propanamide
• IUPAC Traditional name: N-tert-butyl-3-{2-phenyl-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}propanamide
• Synonyms: N-(tert-butyl)-3-(2-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.256146
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.45979524
• LogD (pH = 7.4): 1.3341376
• Log P: 1.819292
• Molar Refractivity: 106.7409 cm^3
• Polarizability: 37.75715 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.06
• LOG S: -3.34
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5