1-(thiophen-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole

• ChemBase ID: 512002
• Molecular Formular: C17H18N2O3S
• Molecular Mass: 330.40142
• Monoisotopic Mass: 330.10381345
• SMILES: c1(n(Cc2cscc2)ccn1)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)c1nccn1Cc1cscc1
• InChI: InChI=1S/C17H18N2O3S/c1-20-14-8-13(9-15(21-2)16(14)22-3)17-18-5-6-19(17)10-12-4-7-23-11-12/h4-9,11H,10H2,1-3H3
• InChIKey: DONJGDFMHTVDIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
• IUPAC Traditional name: 1-(thiophen-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)imidazole
• Synonyms: 1-(3-thienylmethyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.578658
• LogD (pH = 7.4): 3.1168842
• Log P: 3.1351235
• Molar Refractivity: 100.1191 cm^3
• Polarizability: 34.966114 Å^3
• Polar Surface Area: 45.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.14
• LOG S: -4.29
• Polar Surface Area: 45.51 Å^2
• Rotatable Bonds: 6