[1-(1H-imidazol-1-yl)propan-2-yl]({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine

• ChemBase ID: 865401
• Molecular Formular: C15H19N5
• Molecular Mass: 269.34486
• Monoisotopic Mass: 269.16404563
• SMILES: c12n(c(cn1)CNC(Cn1cncc1)C)cccc2C
• Canonical SMILES: CC(Cn1cncc1)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C15H19N5/c1-12-4-3-6-20-14(9-18-15(12)20)8-17-13(2)10-19-7-5-16-11-19/h3-7,9,11,13,17H,8,10H2,1-2H3
• InChIKey: QHXMBASENOIAEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1H-imidazol-1-yl)propan-2-yl]({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
• IUPAC Traditional name: [1-(imidazol-1-yl)propan-2-yl]({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
• Synonyms: 1-(1H-imidazol-1-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4327877
• LogD (pH = 7.4): -0.17153426
• Log P: 1.0748227
• Molar Refractivity: 80.4624 cm^3
• Polarizability: 30.267748 Å^3
• Polar Surface Area: 47.15 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: 1.44
• LOG S: -1.39
• Polar Surface Area: 47.15 Å^2
• Rotatable Bonds: 5