N-(1H-1,3-benzodiazol-2-yl)-2-[({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)amino]acetamide

• ChemBase ID: 595751
• Molecular Formular: C18H18N6O
• Molecular Mass: 334.37512
• Monoisotopic Mass: 334.15420923
• SMILES: c12n(c(cn1)CNCC(=O)Nc1nc3c([nH]1)cccc3)cccc2C
• Canonical SMILES: O=C(Nc1nc2c([nH]1)cccc2)CNCc1cnc2n1cccc2C
• InChI: InChI=1S/C18H18N6O/c1-12-5-4-8-24-13(10-20-17(12)24)9-19-11-16(25)23-18-21-14-6-2-3-7-15(14)22-18/h2-8,10,19H,9,11H2,1H3,(H2,21,22,23,25)
• InChIKey: NHGUQDBPCKXPKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-1,3-benzodiazol-2-yl)-2-[({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)amino]acetamide
• IUPAC Traditional name: N-(1H-1,3-benzodiazol-2-yl)-2-[({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)amino]acetamide
• Synonyms: N-1H-benzimidazol-2-yl-2-{[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.561808
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.61178
• LogD (pH = 7.4): 1.2565165
• Log P: 1.6341141
• Molar Refractivity: 96.8488 cm^3
• Polarizability: 37.21337 Å^3
• Polar Surface Area: 87.11 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: 2.29
• LOG S: -4.7
• Polar Surface Area: 87.11 Å^2
• Rotatable Bonds: 5