[3-(5-{4-[1-(dimethylamino)ethyl]phenyl}-4-phenyl-1H-imidazol-1-yl)propyl]dimethylamine

• ChemBase ID: 557064
• Molecular Formular: C24H32N4
• Molecular Mass: 376.53768
• Monoisotopic Mass: 376.26269704
• SMILES: n1c(c(n(c1)CCCN(C)C)c1ccc(C(N(C)C)C)cc1)c1ccccc1
• Canonical SMILES: CN(CCCn1cnc(c1c1ccc(cc1)C(N(C)C)C)c1ccccc1)C
• InChI: InChI=1S/C24H32N4/c1-19(27(4)5)20-12-14-22(15-13-20)24-23(21-10-7-6-8-11-21)25-18-28(24)17-9-16-26(2)3/h6-8,10-15,18-19H,9,16-17H2,1-5H3
• InChIKey: OKFDFZFTRYMFMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(5-{4-[1-(dimethylamino)ethyl]phenyl}-4-phenyl-1H-imidazol-1-yl)propyl]dimethylamine
• IUPAC Traditional name: [3-(5-{4-[1-(dimethylamino)ethyl]phenyl}-4-phenylimidazol-1-yl)propyl]dimethylamine
• Synonyms: 3-(5-{4-[1-(dimethylamino)ethyl]phenyl}-4-phenyl-1H-imidazol-1-yl)-N,N-dimethylpropan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.7738566
• LogD (pH = 7.4): 0.16569418
• Log P: 4.11533
• Molar Refractivity: 119.5334 cm^3
• Polarizability: 48.81315 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.1
• LOG S: -4.44
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 8