2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole

• ChemBase ID: 835869
• Molecular Formular: C16H20N2
• Molecular Mass: 240.3434
• Monoisotopic Mass: 240.16264865
• SMILES: n1(c(ncc1)C(C)(C)C)C1Cc2c(C1)cccc2
• Canonical SMILES: CC(c1nccn1C1Cc2c(C1)cccc2)(C)C
• InChI: InChI=1S/C16H20N2/c1-16(2,3)15-17-8-9-18(15)14-10-12-6-4-5-7-13(12)11-14/h4-9,14H,10-11H2,1-3H3
• InChIKey: ZUBBDHLBIGIOEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole
• IUPAC Traditional name: 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole
• Synonyms: 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.17863
• LogD (pH = 7.4): 3.9961169
• Log P: 4.113843
• Molar Refractivity: 74.4 cm^3
• Polarizability: 28.6069 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.41
• LOG S: -3.87
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2