4-{1-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-imidazol-2-yl}pyridine

• ChemBase ID: 791884
• Molecular Formular: C15H11N7
• Molecular Mass: 289.29474
• Monoisotopic Mass: 289.10759339
• SMILES: n1(c(ncc1)c1ccncc1)c1ccc(n2nnnc2)cc1
• Canonical SMILES: n1ccc(cc1)c1nccn1c1ccc(cc1)n1cnnn1
• InChI: InChI=1S/C15H11N7/c1-3-14(22-11-18-19-20-22)4-2-13(1)21-10-9-17-15(21)12-5-7-16-8-6-12/h1-11H
• InChIKey: ICFUZEBPTZVDDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-imidazol-2-yl}pyridine
• IUPAC Traditional name: 4-{1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]imidazol-2-yl}pyridine
• Synonyms: 4-{1-[4-(1H-tetrazol-1-yl)phenyl]-1H-imidazol-2-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1776576
• LogD (pH = 7.4): 1.5716823
• Log P: 1.5809325
• Molar Refractivity: 103.886 cm^3
• Polarizability: 32.112503 Å^3
• Polar Surface Area: 74.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.03
• LOG S: -3.04
• Polar Surface Area: 74.31 Å^2
• Rotatable Bonds: 3