1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione

C15H15N3O2 — CID 4040650

IUPAC1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione
SMILESCCc1ccccc1N1C(=O)CC(n2ccnc2)C1=O
InChIInChI=1S/C15H15N3O2/c1-2-11-5-3-4-6-12(11)18-14(19)9-13(15(18)20)17-8-7-16-10-17/h3-8,10,13H,2,9H2,1H3
InChIKeySXUGOQJCJJJTDH-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.95
Rot. Bonds3

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

1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione (PubChem CID 4040650) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione
PubChem CID4040650
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione
SMILESCCc1ccccc1N1C(=O)CC(n2ccnc2)C1=O
InChIInChI=1S/C15H15N3O2/c1-2-11-5-3-4-6-12(11)18-14(19)9-13(15(18)20)17-8-7-16-10-17/h3-8,10,13H,2,9H2,1H3
InChIKeySXUGOQJCJJJTDH-UHFFFAOYSA-N
XLogP1.95
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.95
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-(2,4-dimethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione
CID 4006154
3-(2,3-dihydroindol-1-yl)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 3152006
1-[(3S)-1-(2-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 27818551
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695
ethyl 1-[1-(2-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 17198291
1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 17035334
(3R)-1-(2-ethylphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188051
1-[2-(aminomethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 61038416
(10aR)-2-(2-ethylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 92507578
ethyl (3R)-1-[(3S)-1-(2-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 124832505
1-(2-ethylphenyl)-3-(4-nitroanilino)pyrrolidine-2,5-dione
CID 19163771
(3S)-1-(2,3-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98187918

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione (CID 4040650) is 1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione is CCc1ccccc1N1C(=O)CC(n2ccnc2)C1=O.
What is the InChIKey of 1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione?
The InChIKey is SXUGOQJCJJJTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-11-5-3-4-6-12(11)18-14(19)9-13(15(18)20)17-8-7-16-10-17/h3-8,10,13H,2,9H2,1H3.
What are the key properties of 1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione?
1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-imidazol-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 4040650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).