(5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C25H31N3O5Si — CID 58053193

IUPAC(5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
SMILES[2H]C([2H])([2H])Oc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccccc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2
InChIInChI=1S/C25H31N3O5Si/c1-32-20-11-10-18-15-27(22(29)21(18)14-20)16-25(19-8-6-5-7-9-19)23(30)28(24(31)26-25)17-33-12-13-34(2,3)4/h5-11,14H,12-13,15-17H2,1-4H3,(H,26,31)/t25-/m0/s1/i1D3
InChIKeyQSKNMSNTICJLMJ-PWQFMXDESA-N
MW484.64 g/mol
LogP3.41
Rot. Bonds10

About (5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

(5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 58053193) has the molecular formula C25H31N3O5Si and a molecular weight of 484.64 g/mol. Its IUPAC name is (5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
PubChem CID58053193
Molecular FormulaC25H31N3O5Si
Molecular Weight484.64 g/mol
Exact Mass484.22
IUPAC Name(5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
SMILES[2H]C([2H])([2H])Oc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccccc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2
InChIInChI=1S/C25H31N3O5Si/c1-32-20-11-10-18-15-27(22(29)21(18)14-20)16-25(19-8-6-5-7-9-19)23(30)28(24(31)26-25)17-33-12-13-34(2,3)4/h5-11,14H,12-13,15-17H2,1-4H3,(H,26,31)/t25-/m0/s1/i1D3
InChIKeyQSKNMSNTICJLMJ-PWQFMXDESA-N
XLogP3.41
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
CID 71167419
(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 162170447
4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide
CID 59216656
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
(5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
CID 90981559
(5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46190143
5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
CID 160725262
(5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46190108
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854
(5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 11717287
(5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46190105
5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
CID 161063506

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 58053193) is (5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is [2H]C([2H])([2H])Oc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccccc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.
What is the InChIKey of (5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The InChIKey is QSKNMSNTICJLMJ-PWQFMXDESA-N. The full InChI is InChI=1S/C25H31N3O5Si/c1-32-20-11-10-18-15-27(22(29)21(18)14-20)16-25(19-8-6-5-7-9-19)23(30)28(24(31)26-25)17-33-12-13-34(2,3)4/h5-11,14H,12-13,15-17H2,1-4H3,(H,26,31)/t25-/m0/s1/i1D3.
What are the key properties of (5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
(5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 484.64 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[3-oxo-5-(trideuteriomethoxy)-1H-isoindol-2-yl]methyl]-5-phenyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 58053193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).