N-(diphenylmethyl)-2-[2-(1H-imidazol-4-yl)acetamido]acetamide

• ChemBase ID: 603516
• Molecular Formular: C20H20N4O2
• Molecular Mass: 348.3984
• Monoisotopic Mass: 348.1586259
• SMILES: n1c(CC(=O)NCC(=O)NC(c2ccccc2)c2ccccc2)c[nH]c1
• Canonical SMILES: O=C(NC(c1ccccc1)c1ccccc1)CNC(=O)Cc1c[nH]cn1
• InChI: InChI=1S/C20H20N4O2/c25-18(11-17-12-21-14-23-17)22-13-19(26)24-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,12,14,20H,11,13H2,(H,21,23)(H,22,25)(H,24,26)
• InChIKey: MBLIWCHNWXEYMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(diphenylmethyl)-2-[2-(1H-imidazol-4-yl)acetamido]acetamide
• IUPAC Traditional name: N-(diphenylmethyl)-2-[2-(1H-imidazol-4-yl)acetamido]acetamide
• Synonyms: N-{2-[(diphenylmethyl)amino]-2-oxoethyl}-2-(1H-imidazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.433987
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.9816462
• LogD (pH = 7.4): 1.6617324
• Log P: 1.698538
• Molar Refractivity: 98.3662 cm^3
• Polarizability: 37.945763 Å^3
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.12
• LOG S: -2.69
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 7