2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione

C26H18N2O4 — CID 172539643

IUPAC2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione
SMILESC=Cc1ccc(CN2C(=O)c3ccccc3C2=O)c(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C26H18N2O4/c1-2-16-11-12-17(14-27-23(29)19-7-3-4-8-20(19)24(27)30)18(13-16)15-28-25(31)21-9-5-6-10-22(21)26(28)32/h2-13H,1,14-15H2
InChIKeyUHOJKKPXVXAQRO-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.92
Rot. Bonds5

About 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione

2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione (PubChem CID 172539643) has the molecular formula C26H18N2O4 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione
PubChem CID172539643
Molecular FormulaC26H18N2O4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC Name2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione
SMILESC=Cc1ccc(CN2C(=O)c3ccccc3C2=O)c(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C26H18N2O4/c1-2-16-11-12-17(14-27-23(29)19-7-3-4-8-20(19)24(27)30)18(13-16)15-28-25(31)21-9-5-6-10-22(21)26(28)32/h2-13H,1,14-15H2
InChIKeyUHOJKKPXVXAQRO-UHFFFAOYSA-N
XLogP3.92
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
5-amino-2-[(4-ethenylphenyl)methyl]isoindole-1,3-dione
CID 139686525
2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione
CID 139959211
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
2-[[2-chloro-6-(1-chloroethenyl)-5-ethenyl-3-pyridinyl]methyl]isoindole-1,3-dione
CID 145483299
2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione
CID 66612243
1,4-bis(bromomethyl)-2,5-dimethoxybenzene;2-[[4-(bromomethyl)-2,5-dimethoxyphenyl]methyl]isoindole-1,3-dione
CID 160888133
2-[(2,5-dibromothiophen-3-yl)methyl]isoindole-1,3-dione
CID 10692408
2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 59323393
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
CID 126720986
2-[[4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]isoindole-1,3-dione
CID 134225575

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione (CID 172539643) is 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione is C=Cc1ccc(CN2C(=O)c3ccccc3C2=O)c(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione?
The InChIKey is UHOJKKPXVXAQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O4/c1-2-16-11-12-17(14-27-23(29)19-7-3-4-8-20(19)24(27)30)18(13-16)15-28-25(31)21-9-5-6-10-22(21)26(28)32/h2-13H,1,14-15H2.
What are the key properties of 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione?
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione has a molecular weight of 422.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 172539643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).