N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 628317
• Molecular Formular: C19H19N5O2
• Molecular Mass: 349.38646
• Monoisotopic Mass: 349.15387487
• SMILES: c1(=O)n(c2c(n1C)ccc(c2)CNC(=O)c1nc2n(c1)cc(cc2)C)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C
• InChI: InChI=1S/C19H19N5O2/c1-12-4-7-17-21-14(11-24(17)10-12)18(25)20-9-13-5-6-15-16(8-13)23(3)19(26)22(15)2/h4-8,10-11H,9H2,1-3H3,(H,20,25)
• InChIKey: HDNIGRPSAKALFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[(1,3-dimethyl-2-oxo-1,3-benzodiazol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.632496
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.710712
• LogD (pH = 7.4): 1.7196575
• Log P: 1.7197729
• Molar Refractivity: 99.3619 cm^3
• Polarizability: 36.449883 Å^3
• Polar Surface Area: 69.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.19
• LOG S: -3.62
• Polar Surface Area: 73.33 Å^2
• Rotatable Bonds: 3