2-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]pyridine

• ChemBase ID: 702216
• Molecular Formular: C18H17N3
• Molecular Mass: 275.34768
• Monoisotopic Mass: 275.14224756
• SMILES: n1(c(ncc1)c1ncccc1)C1Cc2c(CC1)cccc2
• Canonical SMILES: c1ccc(nc1)c1nccn1C1CCc2c(C1)cccc2
• InChI: InChI=1S/C18H17N3/c1-2-6-15-13-16(9-8-14(15)5-1)21-12-11-20-18(21)17-7-3-4-10-19-17/h1-7,10-12,16H,8-9,13H2
• InChIKey: RRQJQMJNDFNBDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.826842
• LogD (pH = 7.4): 3.8287344
• Log P: 3.8287585
• Molar Refractivity: 93.4306 cm^3
• Polarizability: 32.55679 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.24
• LOG S: -3.98
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 2