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'}

Analyze 4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).