4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid

C11H20N2O3Si — CID 142729257

IUPAC4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
SMILESCc1cn(COCC[Si](C)(C)C)c(C(=O)O)n1
InChIInChI=1S/C11H20N2O3Si/c1-9-7-13(10(12-9)11(14)15)8-16-5-6-17(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyQBNGEDGVQBIISJ-UHFFFAOYSA-N
MW256.38 g/mol
LogP2.20
Rot. Bonds6

About 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid

4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid (PubChem CID 142729257) has the molecular formula C11H20N2O3Si and a molecular weight of 256.38 g/mol. Its IUPAC name is 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
PubChem CID142729257
Molecular FormulaC11H20N2O3Si
Molecular Weight256.38 g/mol
Exact Mass256.12
IUPAC Name4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
SMILESCc1cn(COCC[Si](C)(C)C)c(C(=O)O)n1
InChIInChI=1S/C11H20N2O3Si/c1-9-7-13(10(12-9)11(14)15)8-16-5-6-17(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyQBNGEDGVQBIISJ-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 52.20
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

1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 89459246
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile
CID 71001888
potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 160723156
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900
propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 73053474
[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
CID 22343067
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
2-[(6-methyl-2-pyridinyl)oxy]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 67125213
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid (CID 142729257) is 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid is Cc1cn(COCC[Si](C)(C)C)c(C(=O)O)n1.
What is the InChIKey of 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The InChIKey is QBNGEDGVQBIISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3Si/c1-9-7-13(10(12-9)11(14)15)8-16-5-6-17(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid has a molecular weight of 256.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid is sourced from PubChem (CID 142729257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).