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

C16H15N3O3 — CID 2869792

IUPAC2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCc1cn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)n1
InChIInChI=1S/C16H15N3O3/c1-9-8-18(11(3)17-9)14(20)10(2)19-15(21)12-6-4-5-7-13(12)16(19)22/h4-8,10H,1-3H3
InChIKeyFFAQEMAFCCOWFP-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.82
Rot. Bonds2

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

2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (PubChem CID 2869792) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
PubChem CID2869792
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCc1cn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)n1
InChIInChI=1S/C16H15N3O3/c1-9-8-18(11(3)17-9)14(20)10(2)19-15(21)12-6-4-5-7-13(12)16(19)22/h4-8,10H,1-3H3
InChIKeyFFAQEMAFCCOWFP-UHFFFAOYSA-N
XLogP1.82
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.82
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-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (CID 2869792) is 2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is Cc1cn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)n1.
What is the InChIKey of 2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The InChIKey is FFAQEMAFCCOWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-9-8-18(11(3)17-9)14(20)10(2)19-15(21)12-6-4-5-7-13(12)16(19)22/h4-8,10H,1-3H3.
What are the key properties of 2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione has a molecular weight of 297.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylimidazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 2869792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).