2-(furan-2-yl)-1-[1-(thiophen-3-yl)propan-2-yl]-1H-imidazole

• ChemBase ID: 742673
• Molecular Formular: C14H14N2OS
• Molecular Mass: 258.33876
• Monoisotopic Mass: 258.08268408
• SMILES: c1(n(C(Cc2cscc2)C)ccn1)c1occc1
• Canonical SMILES: CC(n1ccnc1c1ccco1)Cc1ccsc1
• InChI: InChI=1S/C14H14N2OS/c1-11(9-12-4-8-18-10-12)16-6-5-15-14(16)13-3-2-7-17-13/h2-8,10-11H,9H2,1H3
• InChIKey: PSJHZDWESDUMGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2883003
• LogD (pH = 7.4): 3.372411
• Log P: 3.37362
• Molar Refractivity: 82.2942 cm^3
• Polarizability: 27.887968 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: 2.51
• LOG S: -3.23
• Polar Surface Area: 30.96 Å^2
• Rotatable Bonds: 4