{imidazo[1,2-a]pyridin-3-ylmethyl}({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})methylamine

• ChemBase ID: 706200
• Molecular Formular: C16H21N5O
• Molecular Mass: 299.37084
• Monoisotopic Mass: 299.17461032
• SMILES: n12c(cnc1cccc2)CN(Cc1n(ccn1)CCOC)C
• Canonical SMILES: COCCn1ccnc1CN(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C16H21N5O/c1-19(13-16-17-6-8-20(16)9-10-22-2)12-14-11-18-15-5-3-4-7-21(14)15/h3-8,11H,9-10,12-13H2,1-2H3
• InChIKey: YYVHCJBEQXOZAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[1,2-a]pyridin-3-ylmethyl}({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})methylamine
• IUPAC Traditional name: {imidazo[1,2-a]pyridin-3-ylmethyl}({[1-(2-methoxyethyl)imidazol-2-yl]methyl})methylamine
• Synonyms: (imidazo[1,2-a]pyridin-3-ylmethyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7893425
• LogD (pH = 7.4): 0.41600555
• Log P: 0.47681743
• Molar Refractivity: 87.1912 cm^3
• Polarizability: 32.874924 Å^3
• Polar Surface Area: 47.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.08
• LOG S: -1.3
• Polar Surface Area: 47.59 Å^2
• Rotatable Bonds: 7