5-fluoro-2-(1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidin-2-yl)-1H-1,3-benzodiazole

• ChemBase ID: 781783
• Molecular Formular: C20H18FN5O
• Molecular Mass: 363.3882232
• Monoisotopic Mass: 363.14953844
• SMILES: c1(C(=O)N2C(c3nc4c([nH]3)ccc(c4)F)CCCC2)n2c(nc1)cccc2
• Canonical SMILES: Fc1ccc2c(c1)nc([nH]2)C1CCCCN1C(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C20H18FN5O/c21-13-7-8-14-15(11-13)24-19(23-14)16-5-1-3-10-26(16)20(27)17-12-22-18-6-2-4-9-25(17)18/h2,4,6-9,11-12,16H,1,3,5,10H2,(H,23,24)
• InChIKey: OVPRZLUZXVDORS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidin-2-yl)-1H-1,3-benzodiazole
• IUPAC Traditional name: 5-fluoro-2-(1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidin-2-yl)-1H-1,3-benzodiazole
• Synonyms: 5-fluoro-2-[1-(imidazo[1,2-a]pyridin-3-ylcarbonyl)-2-piperidinyl]-1H-benzimidazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.466996
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0766988
• LogD (pH = 7.4): 2.2637212
• Log P: 2.2664652
• Molar Refractivity: 99.6395 cm^3
• Polarizability: 38.167557 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.32
• LOG S: -4.94
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 2