methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

C12H21BrN2O3Si — CID 153484145

IUPACmethyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(COCC[Si](C)(C)C)c1Br
InChIInChI=1S/C12H21BrN2O3Si/c1-9-14-10(12(16)17-2)11(13)15(9)8-18-6-7-19(3,4)5/h6-8H2,1-5H3
InChIKeyRIHYHDUGJHBFCT-UHFFFAOYSA-N
MW349.30 g/mol
LogP3.05
Rot. Bonds6

About methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (PubChem CID 153484145) has the molecular formula C12H21BrN2O3Si and a molecular weight of 349.30 g/mol. Its IUPAC name is methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
PubChem CID153484145
Molecular FormulaC12H21BrN2O3Si
Molecular Weight349.30 g/mol
Exact Mass348.05
IUPAC Namemethyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(COCC[Si](C)(C)C)c1Br
InChIInChI=1S/C12H21BrN2O3Si/c1-9-14-10(12(16)17-2)11(13)15(9)8-18-6-7-19(3,4)5/h6-8H2,1-5H3
InChIKeyRIHYHDUGJHBFCT-UHFFFAOYSA-N
XLogP3.05
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
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

methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 175614777
methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate
CID 86692086
methyl 4-[[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]sulfonimidoyl]benzoate
CID 168792695
2-[(4,5-dibromo-2-methoxyimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156708294
methyl 5-(4-bromophenoxy)-1-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
CID 156635103
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 123772393
ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
CID 166094894
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
methyl 3-(4-bromophenyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 71267034
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (CID 153484145) is methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is COC(=O)c1nc(C)n(COCC[Si](C)(C)C)c1Br.
What is the InChIKey of methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The InChIKey is RIHYHDUGJHBFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O3Si/c1-9-14-10(12(16)17-2)11(13)15(9)8-18-6-7-19(3,4)5/h6-8H2,1-5H3.
What are the key properties of methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate has a molecular weight of 349.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is sourced from PubChem (CID 153484145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).