N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1-[(4-methylphenyl)amino]cyclopentane-1-carboxamide

• ChemBase ID: 652653
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: c1(n(cnc1)CCOC)CNC(=O)C1(Nc2ccc(cc2)C)CCCC1
• Canonical SMILES: COCCn1cncc1CNC(=O)C1(CCCC1)Nc1ccc(cc1)C
• InChI: InChI=1S/C20H28N4O2/c1-16-5-7-17(8-6-16)23-20(9-3-4-10-20)19(25)22-14-18-13-21-15-24(18)11-12-26-2/h5-8,13,15,23H,3-4,9-12,14H2,1-2H3,(H,22,25)
• InChIKey: JXMDOUSBCIUFAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1-[(4-methylphenyl)amino]cyclopentane-1-carboxamide
• IUPAC Traditional name: N-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}-1-[(4-methylphenyl)amino]cyclopentane-1-carboxamide
• Synonyms: N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1-[(4-methylphenyl)amino]cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.91276
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6667478
• LogD (pH = 7.4): 2.1082466
• Log P: 2.139716
• Molar Refractivity: 103.9346 cm^3
• Polarizability: 39.14557 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.92
• LOG S: -3.44
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 8