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

C10H17BrN2O3Si — CID 89459246

IUPAC4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
SMILES[2H]c1c(Br)nc(C(=O)O)n1COCC[Si](C)(C)C
InChIInChI=1S/C10H17BrN2O3Si/c1-17(2,3)5-4-16-7-13-6-8(11)12-9(13)10(14)15/h6H,4-5,7H2,1-3H3,(H,14,15)/i6D
InChIKeyXVGSIOJVIHXOIY-RAMDWTOOSA-N
MW322.25 g/mol
LogP2.66
Rot. Bonds6

About 4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid

4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid (PubChem CID 89459246) has the molecular formula C10H17BrN2O3Si and a molecular weight of 322.25 g/mol. Its IUPAC name is 4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
PubChem CID89459246
Molecular FormulaC10H17BrN2O3Si
Molecular Weight322.25 g/mol
Exact Mass321.03
IUPAC Name4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
SMILES[2H]c1c(Br)nc(C(=O)O)n1COCC[Si](C)(C)C
InChIInChI=1S/C10H17BrN2O3Si/c1-17(2,3)5-4-16-7-13-6-8(11)12-9(13)10(14)15/h6H,4-5,7H2,1-3H3,(H,14,15)/i6D
InChIKeyXVGSIOJVIHXOIY-RAMDWTOOSA-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 ≤ 500322.25
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

4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
lithium;4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate;ethyl 5-deuterio-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-1-ium-3-carboxylate;bromide
CID 162121650
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
5-bromo-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylic acid
CID 175958107
[1-[2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]-methylcarbamic acid
CID 89456231
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 161107897
2-[(5-bromoimidazo[4,5-b]pyrazin-3-yl)methoxy]ethyl-trimethylsilane
CID 131742099
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The IUPAC name of 4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid (CID 89459246) is 4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The canonical SMILES for 4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid is [2H]c1c(Br)nc(C(=O)O)n1COCC[Si](C)(C)C.
What is the InChIKey of 4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The InChIKey is XVGSIOJVIHXOIY-RAMDWTOOSA-N. The full InChI is InChI=1S/C10H17BrN2O3Si/c1-17(2,3)5-4-16-7-13-6-8(11)12-9(13)10(14)15/h6H,4-5,7H2,1-3H3,(H,14,15)/i6D.
What are the key properties of 4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid has a molecular weight of 322.25 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 4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid is sourced from PubChem (CID 89459246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).