2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione

C15H13N3O3 — CID 713644

IUPAC2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1
InChIInChI=1S/C15H13N3O3/c1-9-7-17(10(2)16-9)13(19)8-18-14(20)11-5-3-4-6-12(11)15(18)21/h3-7H,8H2,1-2H3
InChIKeyWNKSYRQEWIMBSM-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.44
Rot. Bonds2

About 2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 713644) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID713644
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1
InChIInChI=1S/C15H13N3O3/c1-9-7-17(10(2)16-9)13(19)8-18-14(20)11-5-3-4-6-12(11)15(18)21/h3-7H,8H2,1-2H3
InChIKeyWNKSYRQEWIMBSM-UHFFFAOYSA-N
XLogP1.44
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 713644) is 2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione is Cc1cn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1.
What is the InChIKey of 2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is WNKSYRQEWIMBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-7-17(10(2)16-9)13(19)8-18-14(20)11-5-3-4-6-12(11)15(18)21/h3-7H,8H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 283.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 713644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).