2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid

C11H20N2O3Si — CID 166022930

IUPAC2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1COCC[Si](C)(C)C
InChIInChI=1S/C11H20N2O3Si/c1-9-12-7-10(11(14)15)13(9)8-16-5-6-17(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyKDVSFWWMMQBFLT-UHFFFAOYSA-N
MW256.38 g/mol
LogP2.20
Rot. Bonds6

About 2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid

2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid (PubChem CID 166022930) has the molecular formula C11H20N2O3Si and a molecular weight of 256.38 g/mol. Its IUPAC name is 2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
PubChem CID166022930
Molecular FormulaC11H20N2O3Si
Molecular Weight256.38 g/mol
Exact Mass256.12
IUPAC Name2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1COCC[Si](C)(C)C
InChIInChI=1S/C11H20N2O3Si/c1-9-12-7-10(11(14)15)13(9)8-16-5-6-17(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyKDVSFWWMMQBFLT-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

2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
3-(2-ethoxyethyl)-2-methylimidazole-4-carboxylic acid
CID 65172635
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900
methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate
CID 54327180
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
methyl 4-[[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]sulfonimidoyl]benzoate
CID 168792695
3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid
CID 103410360
3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid
CID 103180657
ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate
CID 134840870
4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid
CID 59648587
3-dodecyl-2-methylimidazole-4-carboxylic acid
CID 65173160
3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid
CID 140816137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid (CID 166022930) is 2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid is Cc1ncc(C(=O)O)n1COCC[Si](C)(C)C.
What is the InChIKey of 2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid?
The InChIKey is KDVSFWWMMQBFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3Si/c1-9-12-7-10(11(14)15)13(9)8-16-5-6-17(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid?
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-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 2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 166022930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).