1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione

C15H15N3O2 — CID 4006154

IUPAC1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(n3ccnc3)C2=O)c(C)c1
InChIInChI=1S/C15H15N3O2/c1-10-3-4-12(11(2)7-10)18-14(19)8-13(15(18)20)17-6-5-16-9-17/h3-7,9,13H,8H2,1-2H3
InChIKeyMEZBIJGJPIZNDJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.00
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione

1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione (PubChem CID 4006154) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione
PubChem CID4006154
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(n3ccnc3)C2=O)c(C)c1
InChIInChI=1S/C15H15N3O2/c1-10-3-4-12(11(2)7-10)18-14(19)8-13(15(18)20)17-6-5-16-9-17/h3-7,9,13H,8H2,1-2H3
InChIKeyMEZBIJGJPIZNDJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione
CID 4040650
1-[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2942972
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 17462117
1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2832607
1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 27805299
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2852672
(3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7928119
(3R)-3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2107813
(3S)-3-benzylsulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 867781
3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2731402
ethyl 2-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetate
CID 51568500
ethyl 2-[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetate
CID 43844021

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione (CID 4006154) is 1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(n3ccnc3)C2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione?
The InChIKey is MEZBIJGJPIZNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-3-4-12(11(2)7-10)18-14(19)8-13(15(18)20)17-6-5-16-9-17/h3-7,9,13H,8H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione?
1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 4006154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).