2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 107864
• Molecular Formular: C22H12N2O4
• Molecular Mass: 368.34168
• Monoisotopic Mass: 368.07970687
• SMILES: O=C1N(C(=O)c2ccccc12)c1cccc(c1)N1C(=O)c2ccccc2C1=O
• Canonical SMILES: O=C1N(c2cccc(c2)N2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
• InChI: InChI=1S/C22H12N2O4/c25-19-15-8-1-2-9-16(15)20(26)23(19)13-6-5-7-14(12-13)24-21(27)17-10-3-4-11-18(17)22(24)28/h1-12H
• InChIKey: APQBHDJUOUDRGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2-[3-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
• Synonyms: 1,3-bis(PHTHALIMIDO)BENZENE

Database IDs

• PubChem SID: 162106092
• PubChem CID: 2827235

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1768692
• LogD (pH = 7.4): 3.1768694
• Log P: 3.1768694
• Molar Refractivity: 101.9202 cm^3
• Polarizability: 37.861473 Å^3
• Polar Surface Area: 74.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205267

MP Biomedicals Rare Chemical collection