N-tert-butyl-2-(4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}phenoxy)acetamide

• ChemBase ID: 623418
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c12nc[nH]c2CCNC1c1ccc(OCC(=O)NC(C)(C)C)cc1
• Canonical SMILES: O=C(NC(C)(C)C)COc1ccc(cc1)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C18H24N4O2/c1-18(2,3)22-15(23)10-24-13-6-4-12(5-7-13)16-17-14(8-9-19-16)20-11-21-17/h4-7,11,16,19H,8-10H2,1-3H3,(H,20,21)(H,22,23)
• InChIKey: WPZWYSNEHRVZGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.937121
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.75628054
• LogD (pH = 7.4): 0.6397336
• Log P: 0.95321923
• Molar Refractivity: 92.4663 cm^3
• Polarizability: 35.90618 Å^3
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.67
• LOG S: -2.17
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 5