N-[(4,5-dimethyl-1H-1,3-benzodiazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 565421
• Molecular Formular: C15H17N5O3
• Molecular Mass: 315.32718
• Monoisotopic Mass: 315.13313943
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCc1nc2c([nH]1)ccc(c2C)C
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCc1nc2c([nH]1)ccc(c2C)C
• InChI: InChI=1S/C15H17N5O3/c1-7-3-4-9-13(8(7)2)19-11(17-9)6-16-12(21)5-10-14(22)20-15(23)18-10/h3-4,10H,5-6H2,1-2H3,(H,16,21)(H,17,19)(H2,18,20,22,23)
• InChIKey: YASFQOIFBQZQTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4,5-dimethyl-1H-1,3-benzodiazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[(4,5-dimethyl-1H-1,3-benzodiazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.626502
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.44145095
• LogD (pH = 7.4): -0.008713332
• Log P: 0.0042058476
• Molar Refractivity: 81.2268 cm^3
• Polarizability: 32.14709 Å^3
• Polar Surface Area: 115.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 4
• Log P: -0.28
• LOG S: -2.57
• Polar Surface Area: 115.98 Å^2
• Rotatable Bonds: 4