4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

• ChemBase ID: 523159
• Molecular Formular: C16H21N5O3
• Molecular Mass: 331.36964
• Monoisotopic Mass: 331.16443956
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCN2C(=O)NCC2)ccc1C
• Canonical SMILES: O=C1NCCN1CCNC(=O)c1ccc(c(c1)N1CCNC1=O)C
• InChI: InChI=1S/C16H21N5O3/c1-11-2-3-12(10-13(11)21-9-6-19-16(21)24)14(22)17-4-7-20-8-5-18-15(20)23/h2-3,10H,4-9H2,1H3,(H,17,22)(H,18,23)(H,19,24)
• InChIKey: MUUSPMYDIBFLML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
• IUPAC Traditional name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
• Synonyms: 4-methyl-3-(2-oxo-1-imidazolidinyl)-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.484367
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.6544902
• LogD (pH = 7.4): -0.6544903
• Log P: -0.65448993
• Molar Refractivity: 88.5523 cm^3
• Polarizability: 32.95689 Å^3
• Polar Surface Area: 93.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.64
• LOG S: -2.38
• Polar Surface Area: 93.78 Å^2
• Rotatable Bonds: 5