1,2-dimethylimidazole;isoindole-1,3-dione

C13H13N3O2 — CID 174411656

IUPAC1,2-dimethylimidazole;isoindole-1,3-dione
SMILESCc1nccn1C.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5NO2.C5H8N2/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-5-6-3-4-7(5)2/h1-4H,(H,9,10,11);3-4H,1-2H3
InChIKeyNTEXTPPGOKUCGH-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.30
Rot. Bonds

About 1,2-dimethylimidazole;isoindole-1,3-dione

1,2-dimethylimidazole;isoindole-1,3-dione (PubChem CID 174411656) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1,2-dimethylimidazole;isoindole-1,3-dione.

Molecular Properties

Compound Name1,2-dimethylimidazole;isoindole-1,3-dione
PubChem CID174411656
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1,2-dimethylimidazole;isoindole-1,3-dione
SMILESCc1nccn1C.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5NO2.C5H8N2/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-5-6-3-4-7(5)2/h1-4H,(H,9,10,11);3-4H,1-2H3
InChIKeyNTEXTPPGOKUCGH-UHFFFAOYSA-N
XLogP1.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;isoindole-1,3-dione?
The IUPAC name of 1,2-dimethylimidazole;isoindole-1,3-dione (CID 174411656) is 1,2-dimethylimidazole;isoindole-1,3-dione.
What is the SMILES notation for 1,2-dimethylimidazole;isoindole-1,3-dione?
The canonical SMILES for 1,2-dimethylimidazole;isoindole-1,3-dione is Cc1nccn1C.O=C1NC(=O)c2ccccc21.
What is the InChIKey of 1,2-dimethylimidazole;isoindole-1,3-dione?
The InChIKey is NTEXTPPGOKUCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.C5H8N2/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-5-6-3-4-7(5)2/h1-4H,(H,9,10,11);3-4H,1-2H3.
What are the key properties of 1,2-dimethylimidazole;isoindole-1,3-dione?
1,2-dimethylimidazole;isoindole-1,3-dione has a molecular weight of 243.27 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;isoindole-1,3-dione is sourced from PubChem (CID 174411656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).