(3-{3-[1-(2-methoxyethyl)-4-phenyl-1H-imidazol-5-yl]phenoxy}propyl)dimethylamine

• ChemBase ID: 383677
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: n1c(c(n(c1)CCOC)c1cc(OCCCN(C)C)ccc1)c1ccccc1
• Canonical SMILES: COCCn1cnc(c1c1cccc(c1)OCCCN(C)C)c1ccccc1
• InChI: InChI=1S/C23H29N3O2/c1-25(2)13-8-15-28-21-12-7-11-20(17-21)23-22(19-9-5-4-6-10-19)24-18-26(23)14-16-27-3/h4-7,9-12,17-18H,8,13-16H2,1-3H3
• InChIKey: YMSQQYUOYUSVON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{3-[1-(2-methoxyethyl)-4-phenyl-1H-imidazol-5-yl]phenoxy}propyl)dimethylamine
• IUPAC Traditional name: (3-{3-[3-(2-methoxyethyl)-5-phenylimidazol-4-yl]phenoxy}propyl)dimethylamine
• Synonyms: (3-{3-[1-(2-methoxyethyl)-4-phenyl-1H-imidazol-5-yl]phenoxy}propyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.015387163
• LogD (pH = 7.4): 1.6957239
• Log P: 3.5527115
• Molar Refractivity: 114.0786 cm^3
• Polarizability: 46.690758 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.84
• LOG S: -4.24
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 10