5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione

C26H18N2O5 — CID 140839777

IUPAC5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)c1
InChIInChI=1S/C26H18N2O5/c1-13-4-5-14(2)21(10-13)28-25(32)18-9-7-16(12-20(18)26(28)33)22(29)15-6-8-17-19(11-15)24(31)27(3)23(17)30/h4-12H,1-3H3
InChIKeyAHFBJPDDXGKDAG-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.56
Rot. Bonds3

About 5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione

5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione (PubChem CID 140839777) has the molecular formula C26H18N2O5 and a molecular weight of 438.44 g/mol. Its IUPAC name is 5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
PubChem CID140839777
Molecular FormulaC26H18N2O5
Molecular Weight438.44 g/mol
Exact Mass438.12
IUPAC Name5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)c1
InChIInChI=1S/C26H18N2O5/c1-13-4-5-14(2)21(10-13)28-25(32)18-9-7-16(12-20(18)26(28)33)22(29)15-6-8-17-19(11-15)24(31)27(3)23(17)30/h4-12H,1-3H3
InChIKeyAHFBJPDDXGKDAG-UHFFFAOYSA-N
XLogP3.56
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 140839769
5-[2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 118569732
5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 90180947
methyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 823424
2-(2,5-dimethylphenyl)-N-[2-(methylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119504031
2-(2,5-dimethylphenyl)-N-[3-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 119433889
6,13-bis(2,5-dimethylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 1035548
N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119630318
2-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-propan-2-ylamino]acetic acid
CID 120581186
2-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40589292
5-[2-[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 164725166
5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 71248232

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione (CID 140839777) is 5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione is Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)c1.
What is the InChIKey of 5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
The InChIKey is AHFBJPDDXGKDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O5/c1-13-4-5-14(2)21(10-13)28-25(32)18-9-7-16(12-20(18)26(28)33)22(29)15-6-8-17-19(11-15)24(31)27(3)23(17)30/h4-12H,1-3H3.
What are the key properties of 5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione has a molecular weight of 438.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 140839777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).