2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione

C26H20N2O4 — CID 5094148

IUPAC2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
SMILESCc1cc(C)c(CN2C(=O)c3ccccc3C2=O)cc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H20N2O4/c1-15-11-16(2)18(14-28-25(31)21-9-5-6-10-22(21)26(28)32)12-17(15)13-27-23(29)19-7-3-4-8-20(19)24(27)30/h3-12H,13-14H2,1-2H3
InChIKeyFGERNCPVMGHGBV-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.90
Rot. Bonds4

About 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione

2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione (PubChem CID 5094148) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
PubChem CID5094148
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
SMILESCc1cc(C)c(CN2C(=O)c3ccccc3C2=O)cc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H20N2O4/c1-15-11-16(2)18(14-28-25(31)21-9-5-6-10-22(21)26(28)32)12-17(15)13-27-23(29)19-7-3-4-8-20(19)24(27)30/h3-12H,13-14H2,1-2H3
InChIKeyFGERNCPVMGHGBV-UHFFFAOYSA-N
XLogP3.90
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-bromo-4-[(1,3-dioxoisoindol-2-yl)methyl]-5-methylbenzonitrile
CID 10641895
2-bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-methylbenzonitrile
CID 10641894
2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 59323393
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione
CID 172539643
2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione
CID 66960207
2-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 69277932
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-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione
CID 134217108
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione (CID 5094148) is 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione is Cc1cc(C)c(CN2C(=O)c3ccccc3C2=O)cc1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione?
The InChIKey is FGERNCPVMGHGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-15-11-16(2)18(14-28-25(31)21-9-5-6-10-22(21)26(28)32)12-17(15)13-27-23(29)19-7-3-4-8-20(19)24(27)30/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione?
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione has a molecular weight of 424.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 5094148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).