methyl[(1-methyl-1H-imidazol-2-yl)methyl]({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)amine

• ChemBase ID: 478296
• Molecular Formular: C15H19N5
• Molecular Mass: 269.34486
• Monoisotopic Mass: 269.16404563
• SMILES: c1(nc(n2c1cccc2)C)CN(Cc1n(ccn1)C)C
• Canonical SMILES: CN(Cc1nccn1C)Cc1nc(n2c1cccc2)C
• InChI: InChI=1S/C15H19N5/c1-12-17-13(14-6-4-5-8-20(12)14)10-18(2)11-15-16-7-9-19(15)3/h4-9H,10-11H2,1-3H3
• InChIKey: VKQHCBWRFCBWQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-imidazol-2-yl)methyl]({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)amine
• IUPAC Traditional name: methyl({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)[(1-methylimidazol-2-yl)methyl]amine
• Synonyms: N-methyl-1-(1-methyl-1H-imidazol-2-yl)-N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5699065
• LogD (pH = 7.4): -0.0038197336
• Log P: 0.46018466
• Molar Refractivity: 80.589 cm^3
• Polarizability: 30.945673 Å^3
• Polar Surface Area: 38.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.08
• LOG S: -1.08
• Polar Surface Area: 38.36 Å^2
• Rotatable Bonds: 4