4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole

C23H37N3O4Si — CID 131738960

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole
SMILESCOc1ccc(CN2CC(CO[Si](C)(C)C(C)(C)C)CC2=O)c(OC)c1.c1c[nH]cn1
InChIInChI=1S/C20H33NO4Si.C3H4N2/c1-20(2,3)26(6,7)25-14-15-10-19(22)21(12-15)13-16-8-9-17(23-4)11-18(16)24-5;1-2-5-3-4-1/h8-9,11,15H,10,12-14H2,1-7H3;1-3H,(H,4,5)
InChIKeyXPRKTERNFZZNNA-UHFFFAOYSA-N
MW447.65 g/mol
LogP4.48
Rot. Bonds7

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole (PubChem CID 131738960) has the molecular formula C23H37N3O4Si and a molecular weight of 447.65 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole
PubChem CID131738960
Molecular FormulaC23H37N3O4Si
Molecular Weight447.65 g/mol
Exact Mass447.26
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole
SMILESCOc1ccc(CN2CC(CO[Si](C)(C)C(C)(C)C)CC2=O)c(OC)c1.c1c[nH]cn1
InChIInChI=1S/C20H33NO4Si.C3H4N2/c1-20(2,3)26(6,7)25-14-15-10-19(22)21(12-15)13-16-8-9-17(23-4)11-18(16)24-5;1-2-5-3-4-1/h8-9,11,15H,10,12-14H2,1-7H3;1-3H,(H,4,5)
InChIKeyXPRKTERNFZZNNA-UHFFFAOYSA-N
XLogP4.48
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
CID 170969924
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamate
CID 67557654
4-(4,4-difluorobut-3-enyl)-1-[(2-ethoxy-4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 162582963
S-[[1-[(2,5-dimethoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666820
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
tert-butyl (1S,4R,5R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl]-6-[(2,4-dimethoxyphenyl)methyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 67641744
(4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3,4-dihydropyridin-2-one
CID 102049603
1-[(2-bromo-5-methoxyphenyl)methyl]-4-propylpyrrolidin-2-one
CID 104512444
1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168684467

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole (CID 131738960) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole is COc1ccc(CN2CC(CO[Si](C)(C)C(C)(C)C)CC2=O)c(OC)c1.c1c[nH]cn1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole?
The InChIKey is XPRKTERNFZZNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4Si.C3H4N2/c1-20(2,3)26(6,7)25-14-15-10-19(22)21(12-15)13-16-8-9-17(23-4)11-18(16)24-5;1-2-5-3-4-1/h8-9,11,15H,10,12-14H2,1-7H3;1-3H,(H,4,5).
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole has a molecular weight of 447.65 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one;1H-imidazole is sourced from PubChem (CID 131738960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).