methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

C12H20N2O4Si — CID 58638526

IUPACmethyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESCOC(=O)c1cn(COCC[Si](C)(C)C)c(C=O)n1
InChIInChI=1S/C12H20N2O4Si/c1-17-12(16)10-7-14(11(8-15)13-10)9-18-5-6-19(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyYRBSZODDDMRDMI-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.79
Rot. Bonds7

About methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (PubChem CID 58638526) has the molecular formula C12H20N2O4Si and a molecular weight of 284.39 g/mol. Its IUPAC name is methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
PubChem CID58638526
Molecular FormulaC12H20N2O4Si
Molecular Weight284.39 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESCOC(=O)c1cn(COCC[Si](C)(C)C)c(C=O)n1
InChIInChI=1S/C12H20N2O4Si/c1-17-12(16)10-7-14(11(8-15)13-10)9-18-5-6-19(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyYRBSZODDDMRDMI-UHFFFAOYSA-N
XLogP1.79
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018765
methyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 162383246
4-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 141048810
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 140929543
ethyl 5-formyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate
CID 90036511
methyl 3-amino-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 142755280
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 166074597

Frequently Asked Questions

What is the IUPAC name of methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The IUPAC name of methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (CID 58638526) is methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is COC(=O)c1cn(COCC[Si](C)(C)C)c(C=O)n1.
What is the InChIKey of methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The InChIKey is YRBSZODDDMRDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4Si/c1-17-12(16)10-7-14(11(8-15)13-10)9-18-5-6-19(2,3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate has a molecular weight of 284.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is sourced from PubChem (CID 58638526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).