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

• ChemBase ID: 459424
• Molecular Formular: C21H23N5O2
• Molecular Mass: 377.43962
• Monoisotopic Mass: 377.185175
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N(Cc2nc3c([nH]2)ccc(c3)C)C)ccc1C
• Canonical SMILES: Cc1ccc2c(c1)nc([nH]2)CN(C(=O)c1ccc(c(c1)N1CCNC1=O)C)C
• InChI: InChI=1S/C21H23N5O2/c1-13-4-7-16-17(10-13)24-19(23-16)12-25(3)20(27)15-6-5-14(2)18(11-15)26-9-8-22-21(26)28/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,28)(H,23,24)
• InChIKey: WPLBAUYVPZTVTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.739394
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9304687
• LogD (pH = 7.4): 2.1974502
• Log P: 2.2023609
• Molar Refractivity: 107.4456 cm^3
• Polarizability: 41.401672 Å^3
• Polar Surface Area: 81.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.31
• LOG S: -3.92
• Polar Surface Area: 81.33 Å^2
• Rotatable Bonds: 4