1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

• ChemBase ID: 401219
• Molecular Formular: C16H14N4O
• Molecular Mass: 278.30856
• Monoisotopic Mass: 278.11676109
• SMILES: n1(c(=O)[nH]c2c1cccc2)Cc1nc2n(c1)cc(cc2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)Cn1c(=O)[nH]c2c1cccc2
• InChI: InChI=1S/C16H14N4O/c1-11-6-7-15-17-12(9-19(15)8-11)10-20-14-5-3-2-4-13(14)18-16(20)21/h2-9H,10H2,1H3,(H,18,21)
• InChIKey: WUBGNZYBAPYZQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
• IUPAC Traditional name: 1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3H-1,3-benzodiazol-2-one
• Synonyms: 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-dihydro-2H-benzimidazol-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.886542
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.97160834
• LogD (pH = 7.4): 2.0873911
• Log P: 2.2960787
• Molar Refractivity: 82.1207 cm^3
• Polarizability: 29.910511 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.22
• LOG S: -3.13
• Polar Surface Area: 55.09 Å^2
• Rotatable Bonds: 2