3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

C23H19F3N4O4 — CID 170628727

IUPAC3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(N4CCN(c5cccc(C(F)(F)F)c5)C4=O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C23H19F3N4O4/c24-23(25,26)14-2-1-3-15(11-14)28-8-9-29(22(28)34)16-4-5-17-13(10-16)12-30(21(17)33)18-6-7-19(31)27-20(18)32/h1-5,10-11,18H,6-9,12H2,(H,27,31,32)
InChIKeyORMGJGIHHWULCX-UHFFFAOYSA-N
MW472.42 g/mol
LogP2.91
Rot. Bonds3

About 3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170628727) has the molecular formula C23H19F3N4O4 and a molecular weight of 472.42 g/mol. Its IUPAC name is 3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170628727
Molecular FormulaC23H19F3N4O4
Molecular Weight472.42 g/mol
Exact Mass472.14
IUPAC Name3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(N4CCN(c5cccc(C(F)(F)F)c5)C4=O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C23H19F3N4O4/c24-23(25,26)14-2-1-3-15(11-14)28-8-9-29(22(28)34)16-4-5-17-13(10-16)12-30(21(17)33)18-6-7-19(31)27-20(18)32/h1-5,10-11,18H,6-9,12H2,(H,27,31,32)
InChIKeyORMGJGIHHWULCX-UHFFFAOYSA-N
XLogP2.91
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170628831
3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170628756
3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 164938597
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
3-[6-(4-hydroxypiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162742094
3-[6-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296278
3-[6-(4-aminopiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134579838
(3S)-3-[6-(4-tert-butylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841784
3-[6-[4,4-difluoro-3-oxo-4-(3-piperidin-1-ylphenyl)butyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 147491286
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
(3S)-3-[6-(5-tert-butyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841770

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170628727) is 3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(N4CCN(c5cccc(C(F)(F)F)c5)C4=O)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ORMGJGIHHWULCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O4/c24-23(25,26)14-2-1-3-15(11-14)28-8-9-29(22(28)34)16-4-5-17-13(10-16)12-30(21(17)33)18-6-7-19(31)27-20(18)32/h1-5,10-11,18H,6-9,12H2,(H,27,31,32).
What are the key properties of 3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 472.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170628727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).