N-[1-(1H-imidazol-1-yl)-3-methylbutan-2-yl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 572055
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: c12n(c(cn1)CC(=O)NC(Cn1cncc1)C(C)C)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NC(C(C)C)Cn1cncc1
• InChI: InChI=1S/C18H23N5O/c1-13(2)16(11-22-8-6-19-12-22)21-17(24)9-15-10-20-18-14(3)5-4-7-23(15)18/h4-8,10,12-13,16H,9,11H2,1-3H3,(H,21,24)
• InChIKey: IWFQJDCJPDQHEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-imidazol-1-yl)-3-methylbutan-2-yl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[1-(imidazol-1-yl)-3-methylbutan-2-yl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[1-(1H-imidazol-1-ylmethyl)-2-methylpropyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.366423
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13268739
• LogD (pH = 7.4): 1.3400596
• Log P: 1.4584508
• Molar Refractivity: 94.2365 cm^3
• Polarizability: 35.55441 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.61
• LOG S: -2.95
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6