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

• ChemBase ID: 396135
• Molecular Formular: C17H15N3
• Molecular Mass: 261.3211
• Monoisotopic Mass: 261.1265975
• SMILES: n1(c(ncc1)c1ccncc1)C1Cc2c(C1)cccc2
• Canonical SMILES: n1ccc(cc1)c1nccn1C1Cc2c(C1)cccc2
• InChI: InChI=1S/C17H15N3/c1-2-4-15-12-16(11-14(15)3-1)20-10-9-19-17(20)13-5-7-18-8-6-13/h1-10,16H,11-12H2
• InChIKey: SQAFQXODJDKDBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.437555
• LogD (pH = 7.4): 2.9807305
• Log P: 2.9983397
• Molar Refractivity: 89.2016 cm^3
• Polarizability: 30.700499 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: 2.55
• LOG S: -3.28
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 2