6-methyl-5-{1-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-imidazol-2-yl}quinoline

• ChemBase ID: 488976
• Molecular Formular: C20H15N7
• Molecular Mass: 353.38
• Monoisotopic Mass: 353.13889352
• SMILES: c1(n(c2cc(n3nnnc3)ccc2)ccn1)c1c2c(nccc2)ccc1C
• Canonical SMILES: Cc1ccc2c(c1c1nccn1c1cccc(c1)n1cnnn1)cccn2
• InChI: InChI=1S/C20H15N7/c1-14-7-8-18-17(6-3-9-21-18)19(14)20-22-10-11-26(20)15-4-2-5-16(12-15)27-13-23-24-25-27/h2-13H,1H3
• InChIKey: AWQNHWZLRGXDNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-{1-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-imidazol-2-yl}quinoline
• IUPAC Traditional name: 6-methyl-5-{1-[3-(1,2,3,4-tetrazol-1-yl)phenyl]imidazol-2-yl}quinoline
• Synonyms: 6-methyl-5-{1-[3-(1H-tetrazol-1-yl)phenyl]-1H-imidazol-2-yl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0820603
• LogD (pH = 7.4): 3.4613307
• Log P: 3.469681
• Molar Refractivity: 125.0054 cm^3
• Polarizability: 41.459686 Å^3
• Polar Surface Area: 74.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.62
• LOG S: -4.87
• Polar Surface Area: 74.31 Å^2
• Rotatable Bonds: 3