N-{imidazo[1,2-a]pyridin-2-ylmethyl}-4-(1H-1,2,3,4-tetrazol-1-ylmethyl)benzamide

• ChemBase ID: 554872
• Molecular Formular: C17H15N7O
• Molecular Mass: 333.3473
• Monoisotopic Mass: 333.13380814
• SMILES: n1c2n(cc1CNC(=O)c1ccc(Cn3nnnc3)cc1)cccc2
• Canonical SMILES: O=C(c1ccc(cc1)Cn1cnnn1)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C17H15N7O/c25-17(18-9-15-11-23-8-2-1-3-16(23)20-15)14-6-4-13(5-7-14)10-24-12-19-21-22-24/h1-8,11-12H,9-10H2,(H,18,25)
• InChIKey: LQWVHOXIOBOUCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-2-ylmethyl}-4-(1H-1,2,3,4-tetrazol-1-ylmethyl)benzamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-2-ylmethyl}-4-(1,2,3,4-tetrazol-1-ylmethyl)benzamide
• Synonyms: N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-tetrazol-1-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.838843
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.20802651
• LogD (pH = 7.4): 0.7296544
• Log P: 0.7437498
• Molar Refractivity: 106.0911 cm^3
• Polarizability: 33.992924 Å^3
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.22
• LOG S: -2.67
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5