{3-[2-(2,4-dimethoxyphenyl)-1H-imidazol-1-yl]propyl}dimethylamine

• ChemBase ID: 659744
• Molecular Formular: C16H23N3O2
• Molecular Mass: 289.37272
• Monoisotopic Mass: 289.17902699
• SMILES: c1(c2c(cc(cc2)OC)OC)n(ccn1)CCCN(C)C
• Canonical SMILES: COc1cc(OC)ccc1c1nccn1CCCN(C)C
• InChI: InChI=1S/C16H23N3O2/c1-18(2)9-5-10-19-11-8-17-16(19)14-7-6-13(20-3)12-15(14)21-4/h6-8,11-12H,5,9-10H2,1-4H3
• InChIKey: DBVCHVHYYVZNQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[2-(2,4-dimethoxyphenyl)-1H-imidazol-1-yl]propyl}dimethylamine
• IUPAC Traditional name: {3-[2-(2,4-dimethoxyphenyl)imidazol-1-yl]propyl}dimethylamine
• Synonyms: 3-[2-(2,4-dimethoxyphenyl)-1H-imidazol-1-yl]-N,N-dimethylpropan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.0118384
• LogD (pH = 7.4): -0.38685596
• Log P: 1.8664838
• Molar Refractivity: 94.822 cm^3
• Polarizability: 33.101368 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.65
• LOG S: -1.71
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 7