N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 523855
• Molecular Formular: C19H19N5O2
• Molecular Mass: 349.38646
• Monoisotopic Mass: 349.15387487
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCc2nc3c([nH]2)cccc3)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)NCCc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C19H19N5O2/c25-18(13-4-3-5-14(12-13)24-11-10-21-19(24)26)20-9-8-17-22-15-6-1-2-7-16(15)23-17/h1-7,12H,8-11H2,(H,20,25)(H,21,26)(H,22,23)
• InChIKey: QCUXNMLRGWFFRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.805085
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.9621482
• LogD (pH = 7.4): 1.1850089
• Log P: 1.1888547
• Molar Refractivity: 97.1659 cm^3
• Polarizability: 37.875565 Å^3
• Polar Surface Area: 90.12 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: 0.82
• LOG S: -2.45
• Polar Surface Area: 90.12 Å^2
• Rotatable Bonds: 5