N-(2-methoxyethyl)-4-[2-(3-methylthiophen-2-yl)-1H-imidazol-1-yl]benzamide

• ChemBase ID: 506632
• Molecular Formular: C18H19N3O2S
• Molecular Mass: 341.42736
• Monoisotopic Mass: 341.11979786
• SMILES: c1(n(c2ccc(C(=O)NCCOC)cc2)ccn1)c1c(ccs1)C
• Canonical SMILES: COCCNC(=O)c1ccc(cc1)n1ccnc1c1sccc1C
• InChI: InChI=1S/C18H19N3O2S/c1-13-7-12-24-16(13)17-19-8-10-21(17)15-5-3-14(4-6-15)18(22)20-9-11-23-2/h3-8,10,12H,9,11H2,1-2H3,(H,20,22)
• InChIKey: HXIUMJQFXDYDLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-4-[2-(3-methylthiophen-2-yl)-1H-imidazol-1-yl]benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]benzamide
• Synonyms: N-(2-methoxyethyl)-4-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.460336
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.921642
• LogD (pH = 7.4): 3.07661
• Log P: 3.0790908
• Molar Refractivity: 116.0577 cm^3
• Polarizability: 37.149055 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.14
• LOG S: -4.37
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6