2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione

C21H19N3O4 — CID 10785812

IUPAC2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione
SMILESCN1C(=O)N(C)[C@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2)C1=O
InChIInChI=1S/C21H19N3O4/c1-22-19(27)21(23(2)20(22)28,14-8-4-3-5-9-14)12-13-24-17(25)15-10-6-7-11-16(15)18(24)26/h3-11H,12-13H2,1-2H3/t21-/m1/s1
InChIKeyBVLNQAROEDXSJX-OAQYLSRUSA-N
MW377.40 g/mol
LogP2.09
Rot. Bonds4

About 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione

2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione (PubChem CID 10785812) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione
PubChem CID10785812
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione
SMILESCN1C(=O)N(C)[C@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2)C1=O
InChIInChI=1S/C21H19N3O4/c1-22-19(27)21(23(2)20(22)28,14-8-4-3-5-9-14)12-13-24-17(25)15-10-6-7-11-16(15)18(24)26/h3-11H,12-13H2,1-2H3/t21-/m1/s1
InChIKeyBVLNQAROEDXSJX-OAQYLSRUSA-N
XLogP2.09
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294
1,3-dimethyl-5-(4-methylphenyl)-5-phenylimidazolidine-2,4-dione
CID 71388254
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-(1,3-dioxoisoindol-2-yl)propyl-[4-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]butyl]-dimethylazanium
CID 10770828
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[2-(2-ethyloxiran-2-yl)ethyl]isoindole-1,3-dione
CID 122459258
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
CID 45095321
5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium
CID 26723330
4-(1,3-dioxoisoindol-2-yl)butyl-tris[3-(1,3-dioxoisoindol-2-yl)propyl]azanium iodide
CID 10102249
1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
CID 161316865
2-[2-(2,3-diethyloxiran-2-yl)ethyl]isoindole-1,3-dione
CID 122459425
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione (CID 10785812) is 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione is CN1C(=O)N(C)[C@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2)C1=O.
What is the InChIKey of 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione?
The InChIKey is BVLNQAROEDXSJX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-22-19(27)21(23(2)20(22)28,14-8-4-3-5-9-14)12-13-24-17(25)15-10-6-7-11-16(15)18(24)26/h3-11H,12-13H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione?
2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione has a molecular weight of 377.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4R)-1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 10785812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).