N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-[(4-methylphenyl)amino]-2-phenylpropanamide

• ChemBase ID: 470048
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: C(C(=O)NCc1n(ccn1)CC)(Nc1ccc(cc1)C)(c1ccccc1)C
• Canonical SMILES: CCn1ccnc1CNC(=O)C(c1ccccc1)(Nc1ccc(cc1)C)C
• InChI: InChI=1S/C22H26N4O/c1-4-26-15-14-23-20(26)16-24-21(27)22(3,18-8-6-5-7-9-18)25-19-12-10-17(2)11-13-19/h5-15,25H,4,16H2,1-3H3,(H,24,27)
• InChIKey: JAZFSIGUVJEDOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-[(4-methylphenyl)amino]-2-phenylpropanamide
• IUPAC Traditional name: N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methylphenyl)amino]-2-phenylpropanamide
• Synonyms: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-[(4-methylphenyl)amino]-2-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.237059
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.945414
• LogD (pH = 7.4): 3.4661283
• Log P: 3.483011
• Molar Refractivity: 109.7074 cm^3
• Polarizability: 41.415215 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.0
• LOG S: -4.41
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 7