1-[2-(furan-2-yl)ethyl]-2-(3-methylthiophen-2-yl)-1H-imidazole

• ChemBase ID: 770252
• Molecular Formular: C14H14N2OS
• Molecular Mass: 258.33876
• Monoisotopic Mass: 258.08268408
• SMILES: c1(c2c(ccs2)C)n(ccn1)CCc1occc1
• Canonical SMILES: Cc1ccsc1c1nccn1CCc1ccco1
• InChI: InChI=1S/C14H14N2OS/c1-11-5-10-18-13(11)14-15-6-8-16(14)7-4-12-3-2-9-17-12/h2-3,5-6,8-10H,4,7H2,1H3
• InChIKey: CFPFFYVWUIIGIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(furan-2-yl)ethyl]-2-(3-methylthiophen-2-yl)-1H-imidazole
• IUPAC Traditional name: 1-[2-(furan-2-yl)ethyl]-2-(3-methylthiophen-2-yl)imidazole
• Synonyms: 1-[2-(2-furyl)ethyl]-2-(3-methyl-2-thienyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.965231
• LogD (pH = 7.4): 3.2332978
• Log P: 3.238471
• Molar Refractivity: 82.8111 cm^3
• Polarizability: 27.812645 Å^3
• Polar Surface Area: 30.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.92
• LOG S: -3.58
• Polar Surface Area: 30.96 Å^2
• Rotatable Bonds: 4