ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

C13H24N2O3Si — CID 59677265

IUPACethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(COCC[Si](C)(C)C)c1C
InChIInChI=1S/C13H24N2O3Si/c1-6-18-13(16)12-11(2)15(9-14-12)10-17-7-8-19(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyCDVXYJVXTORPRZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.68
Rot. Bonds7

About ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (PubChem CID 59677265) has the molecular formula C13H24N2O3Si and a molecular weight of 284.43 g/mol. Its IUPAC name is ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
PubChem CID59677265
Molecular FormulaC13H24N2O3Si
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Nameethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(COCC[Si](C)(C)C)c1C
InChIInChI=1S/C13H24N2O3Si/c1-6-18-13(16)12-11(2)15(9-14-12)10-17-7-8-19(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyCDVXYJVXTORPRZ-UHFFFAOYSA-N
XLogP2.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate
CID 140713204
ethyl 2-imidazol-1-yl-7-(2-trimethylsilylethoxymethyl)purine-6-carboxylate
CID 155786281
ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate
CID 11550156
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 5-formyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate
CID 90036511
ethyl 3-prop-1-ynyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 163216453
ethyl 5-[2-(4-chlorophenyl)ethynyl]-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
CID 156678789
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (CID 59677265) is ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is CCOC(=O)c1ncn(COCC[Si](C)(C)C)c1C.
What is the InChIKey of ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The InChIKey is CDVXYJVXTORPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3Si/c1-6-18-13(16)12-11(2)15(9-14-12)10-17-7-8-19(3,4)5/h9H,6-8,10H2,1-5H3.
What are the key properties of ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate has a molecular weight of 284.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is sourced from PubChem (CID 59677265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).