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

• ChemBase ID: 463991
• Molecular Formular: C17H15N3
• Molecular Mass: 261.3211
• Monoisotopic Mass: 261.1265975
• SMILES: n1(c(ncc1)c1ccncc1)c1c2c(ccc1)CCC2
• Canonical SMILES: n1ccc(cc1)c1nccn1c1cccc2c1CCC2
• InChI: InChI=1S/C17H15N3/c1-3-13-4-2-6-16(15(13)5-1)20-12-11-19-17(20)14-7-9-18-10-8-14/h2,4,6-12H,1,3,5H2
• InChIKey: VHYUPQQHZLWSPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.148977
• LogD (pH = 7.4): 3.5419855
• Log P: 3.5511937
• Molar Refractivity: 99.8323 cm^3
• Polarizability: 31.492342 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: 4.28
• LOG S: -4.76
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 2