N-[(6-methoxy-1H-1,3-benzodiazol-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 746373
• Molecular Formular: C19H19N5O3
• Molecular Mass: 365.38586
• Monoisotopic Mass: 365.14878949
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCc2nc3c([nH]2)cc(cc3)OC)ccc1
• Canonical SMILES: COc1ccc2c(c1)[nH]c(n2)CNC(=O)c1cccc(c1)N1CCNC1=O
• InChI: InChI=1S/C19H19N5O3/c1-27-14-5-6-15-16(10-14)23-17(22-15)11-21-18(25)12-3-2-4-13(9-12)24-8-7-20-19(24)26/h2-6,9-10H,7-8,11H2,1H3,(H,20,26)(H,21,25)(H,22,23)
• InChIKey: PWUNIVVCDCJDJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-methoxy-1H-1,3-benzodiazol-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[(5-methoxy-3H-1,3-benzodiazol-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.415256
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.5783643
• LogD (pH = 7.4): 0.7905414
• Log P: 0.7941707
• Molar Refractivity: 98.9297 cm^3
• Polarizability: 38.557102 Å^3
• Polar Surface Area: 99.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.03
• LOG S: -2.74
• Polar Surface Area: 99.35 Å^2
• Rotatable Bonds: 5