5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid

C10H17BrN2O3Si — CID 131747900

IUPAC5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
SMILESC[Si](C)(C)CCOCn1c(Br)cnc1C(=O)O
InChIInChI=1S/C10H17BrN2O3Si/c1-17(2,3)5-4-16-7-13-8(11)6-12-9(13)10(14)15/h6H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyQUXNHNJBPQJSFD-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.66
Rot. Bonds6

About 5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid

5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid (PubChem CID 131747900) has the molecular formula C10H17BrN2O3Si and a molecular weight of 321.25 g/mol. Its IUPAC name is 5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
PubChem CID131747900
Molecular FormulaC10H17BrN2O3Si
Molecular Weight321.25 g/mol
Exact Mass320.02
IUPAC Name5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
SMILESC[Si](C)(C)CCOCn1c(Br)cnc1C(=O)O
InChIInChI=1S/C10H17BrN2O3Si/c1-17(2,3)5-4-16-7-13-8(11)6-12-9(13)10(14)15/h6H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyQUXNHNJBPQJSFD-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.66
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
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 162469151
4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 89459246
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
(9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one
CID 162506736
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
5-bromo-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylic acid
CID 175958107
5-bromo-4-methoxy-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylic acid
CID 90181086

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The IUPAC name of 5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid (CID 131747900) is 5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid.
What is the SMILES notation for 5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The canonical SMILES for 5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid is C[Si](C)(C)CCOCn1c(Br)cnc1C(=O)O.
What is the InChIKey of 5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The InChIKey is QUXNHNJBPQJSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O3Si/c1-17(2,3)5-4-16-7-13-8(11)6-12-9(13)10(14)15/h6H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid has a molecular weight of 321.25 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid is sourced from PubChem (CID 131747900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).