2-(3-chloro-2,6-difluorophenyl)-1-(furan-3-ylmethyl)-1H-imidazole

• ChemBase ID: 607778
• Molecular Formular: C14H9ClF2N2O
• Molecular Mass: 294.6838664
• Monoisotopic Mass: 294.03714704
• SMILES: c1(c2c(c(ccc2F)Cl)F)n(Cc2cocc2)ccn1
• Canonical SMILES: Fc1ccc(c(c1c1nccn1Cc1ccoc1)F)Cl
• InChI: InChI=1S/C14H9ClF2N2O/c15-10-1-2-11(16)12(13(10)17)14-18-4-5-19(14)7-9-3-6-20-8-9/h1-6,8H,7H2
• InChIKey: UQZJPNPNVNVPMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chloro-2,6-difluorophenyl)-1-(furan-3-ylmethyl)-1H-imidazole
• IUPAC Traditional name: 2-(3-chloro-2,6-difluorophenyl)-1-(furan-3-ylmethyl)imidazole
• Synonyms: 2-(3-chloro-2,6-difluorophenyl)-1-(3-furylmethyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6644585
• LogD (pH = 7.4): 3.8541794
• Log P: 3.8573892
• Molar Refractivity: 81.3747 cm^3
• Polarizability: 26.96461 Å^3
• Polar Surface Area: 30.96 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: 2.59
• LOG S: -3.56
• Polar Surface Area: 30.96 Å^2
• Rotatable Bonds: 3