4-(2,4-dioxoimidazolidin-1-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)benzamide

• ChemBase ID: 687535
• Molecular Formular: C19H17N5O3
• Molecular Mass: 363.36998
• Monoisotopic Mass: 363.13313943
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCc2nc3n(c2)cc(cc3)C)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C19H17N5O3/c1-12-2-7-16-21-14(10-23(16)9-12)8-20-18(26)13-3-5-15(6-4-13)24-11-17(25)22-19(24)27/h2-7,9-10H,8,11H2,1H3,(H,20,26)(H,22,25,27)
• InChIKey: WWILQGHBJKBLCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.065123
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.126713
• LogD (pH = 7.4): 0.5749511
• Log P: 0.6114004
• Molar Refractivity: 98.7055 cm^3
• Polarizability: 36.55818 Å^3
• Polar Surface Area: 95.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.92
• LOG S: -2.63
• Polar Surface Area: 95.81 Å^2
• Rotatable Bonds: 4