5-[4-phenyl-5-(2,4,5-trimethoxyphenyl)-1H-imidazol-1-yl]pentan-1-amine

• ChemBase ID: 759203
• Molecular Formular: C23H29N3O3
• Molecular Mass: 395.49466
• Monoisotopic Mass: 395.2208918
• SMILES: c1(c2c(cc(c(c2)OC)OC)OC)c(ncn1CCCCCN)c1ccccc1
• Canonical SMILES: NCCCCCn1cnc(c1c1cc(OC)c(cc1OC)OC)c1ccccc1
• InChI: InChI=1S/C23H29N3O3/c1-27-19-15-21(29-3)20(28-2)14-18(19)23-22(17-10-6-4-7-11-17)25-16-26(23)13-9-5-8-12-24/h4,6-7,10-11,14-16H,5,8-9,12-13,24H2,1-3H3
• InChIKey: RBXPHENQZIKYRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-phenyl-5-(2,4,5-trimethoxyphenyl)-1H-imidazol-1-yl]pentan-1-amine
• IUPAC Traditional name: 5-[4-phenyl-5-(2,4,5-trimethoxyphenyl)imidazol-1-yl]pentan-1-amine
• Synonyms: 5-[4-phenyl-5-(2,4,5-trimethoxyphenyl)-1H-imidazol-1-yl]pentan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.24032314
• LogD (pH = 7.4): 0.82379204
• Log P: 3.4306476
• Molar Refractivity: 115.1378 cm^3
• Polarizability: 47.306126 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.02
• LOG S: -3.65
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 10