[1-(2-chlorophenyl)-2-[2-(furan-3-yl)-1H-imidazol-1-yl]ethyl]dimethylamine

• ChemBase ID: 454360
• Molecular Formular: C17H18ClN3O
• Molecular Mass: 315.79732
• Monoisotopic Mass: 315.11383989
• SMILES: c1(n(CC(c2c(Cl)cccc2)N(C)C)ccn1)c1cocc1
• Canonical SMILES: CN(C(c1ccccc1Cl)Cn1ccnc1c1ccoc1)C
• InChI: InChI=1S/C17H18ClN3O/c1-20(2)16(14-5-3-4-6-15(14)18)11-21-9-8-19-17(21)13-7-10-22-12-13/h3-10,12,16H,11H2,1-2H3
• InChIKey: UEFJQNIXIDKUOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-chlorophenyl)-2-[2-(furan-3-yl)-1H-imidazol-1-yl]ethyl]dimethylamine
• IUPAC Traditional name: [1-(2-chlorophenyl)-2-[2-(furan-3-yl)imidazol-1-yl]ethyl]dimethylamine
• Synonyms: 1-(2-chlorophenyl)-2-[2-(3-furyl)-1H-imidazol-1-yl]-N,N-dimethylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0908636
• LogD (pH = 7.4): 3.1462042
• Log P: 3.650397
• Molar Refractivity: 98.6312 cm^3
• Polarizability: 34.54678 Å^3
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.41
• LOG S: -3.41
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 5