2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione

C18H21N3O4 — CID 2583395

IUPAC2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)C[C@]1(C)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C18H21N3O4/c1-11(2)10-18(3)16(24)21(17(25)19-18)9-8-20-14(22)12-6-4-5-7-13(12)15(20)23/h4-7,11H,8-10H2,1-3H3,(H,19,25)/t18-/m0/s1
InChIKeyHKYXFMVDDOUPKM-SFHVURJKSA-N
MW343.38 g/mol
LogP1.64
Rot. Bonds5

About 2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 2583395) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID2583395
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)C[C@]1(C)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C18H21N3O4/c1-11(2)10-18(3)16(24)21(17(25)19-18)9-8-20-14(22)12-6-4-5-7-13(12)15(20)23/h4-7,11H,8-10H2,1-3H3,(H,19,25)/t18-/m0/s1
InChIKeyHKYXFMVDDOUPKM-SFHVURJKSA-N
XLogP1.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-5-(2-methylpropyl)-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 95597576
(5S,9R)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8002516
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 51138861
2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione
CID 18266875
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51138877
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 5002767
2-[3-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
CID 43028357
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2711199
3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 75511262
N-methyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 84601250
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 56812667
3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 111476310

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione (CID 2583395) is 2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione is CC(C)C[C@]1(C)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O.
What is the InChIKey of 2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is HKYXFMVDDOUPKM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(2)10-18(3)16(24)21(17(25)19-18)9-8-20-14(22)12-6-4-5-7-13(12)15(20)23/h4-7,11H,8-10H2,1-3H3,(H,19,25)/t18-/m0/s1.
What are the key properties of 2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 2583395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).