2-(1H-1,3-benzodiazol-1-yl)-N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)propanamide

• ChemBase ID: 706570
• Molecular Formular: C19H19N5O
• Molecular Mass: 333.38706
• Monoisotopic Mass: 333.15896025
• SMILES: n1(cnc2c1cccc2)C(C(=O)NCc1nc2n(c1)cccc2C)C
• Canonical SMILES: O=C(C(n1cnc2c1cccc2)C)NCc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C19H19N5O/c1-13-6-5-9-23-11-15(22-18(13)23)10-20-19(25)14(2)24-12-21-16-7-3-4-8-17(16)24/h3-9,11-12,14H,10H2,1-2H3,(H,20,25)
• InChIKey: VMPIUFNLMXEWCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-1,3-benzodiazol-1-yl)-N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)propanamide
• IUPAC Traditional name: 2-(1,3-benzodiazol-1-yl)-N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)propanamide
• Synonyms: 2-(1H-benzimidazol-1-yl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.522688
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0823314
• LogD (pH = 7.4): 2.0226502
• Log P: 2.052331
• Molar Refractivity: 96.1726 cm^3
• Polarizability: 37.53712 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.14
• LOG S: -4.57
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4