(4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one

C14H25N3O2Si — CID 10357175

IUPAC(4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one
SMILESC[C@@H]1NC(=O)C[C@@H]1c1cn(COCC[Si](C)(C)C)cn1
InChIInChI=1S/C14H25N3O2Si/c1-11-12(7-14(18)16-11)13-8-17(9-15-13)10-19-5-6-20(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyFVOKQINDYOJGDR-RYUDHWBXSA-N
MW295.46 g/mol
LogP2.19
Rot. Bonds6

About (4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one

(4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one (PubChem CID 10357175) has the molecular formula C14H25N3O2Si and a molecular weight of 295.46 g/mol. Its IUPAC name is (4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one
PubChem CID10357175
Molecular FormulaC14H25N3O2Si
Molecular Weight295.46 g/mol
Exact Mass295.17
IUPAC Name(4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one
SMILESC[C@@H]1NC(=O)C[C@@H]1c1cn(COCC[Si](C)(C)C)cn1
InChIInChI=1S/C14H25N3O2Si/c1-11-12(7-14(18)16-11)13-8-17(9-15-13)10-19-5-6-20(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyFVOKQINDYOJGDR-RYUDHWBXSA-N
XLogP2.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one
CID 10469798
1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
CID 58367438
5-bromo-1H-imidazole;2-[(4-bromoimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 161078247
2-[(4-butylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71485604
2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 167576208
trimethyl-[2-[[3-(1H-pyrazol-4-yl)pyrrol-1-yl]methoxy]ethyl]silane
CID 141189277
2-(imidazol-1-ylmethoxy)ethyl-trimethylsilane
CID 11052605
7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736066
2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 169030760
3-(2-trimethylsilylethoxymethyl)pyrimidin-4-one
CID 175839640
3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one
CID 140735529
1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
CID 91103274

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one?
The IUPAC name of (4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one (CID 10357175) is (4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one is C[C@@H]1NC(=O)C[C@@H]1c1cn(COCC[Si](C)(C)C)cn1.
What is the InChIKey of (4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one?
The InChIKey is FVOKQINDYOJGDR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25N3O2Si/c1-11-12(7-14(18)16-11)13-8-17(9-15-13)10-19-5-6-20(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,16,18)/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one?
(4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one has a molecular weight of 295.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-methyl-4-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 10357175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).