1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid

C11H18N2O5Si — CID 159721123

IUPAC1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)nc1C(=O)O
InChIInChI=1S/C11H18N2O5Si/c1-19(2,3)5-4-18-7-13-6-8(10(14)15)12-9(13)11(16)17/h6H,4-5,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNAAXNXMUFKRVJF-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.59
Rot. Bonds7

About 1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid

1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid (PubChem CID 159721123) has the molecular formula C11H18N2O5Si and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
PubChem CID159721123
Molecular FormulaC11H18N2O5Si
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)nc1C(=O)O
InChIInChI=1S/C11H18N2O5Si/c1-19(2,3)5-4-18-7-13-6-8(10(14)15)12-9(13)11(16)17/h6H,4-5,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNAAXNXMUFKRVJF-UHFFFAOYSA-N
XLogP1.59
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
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

4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 89459246
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 58638526
potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 160723156
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 175080684
ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647
benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 140929543
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
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326

Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid (CID 159721123) is 1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid is C[Si](C)(C)CCOCn1cc(C(=O)O)nc1C(=O)O.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid?
The InChIKey is NAAXNXMUFKRVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5Si/c1-19(2,3)5-4-18-7-13-6-8(10(14)15)12-9(13)11(16)17/h6H,4-5,7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid?
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid has a molecular weight of 286.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid is sourced from PubChem (CID 159721123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).