2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile

C11H15BrN4OSi — CID 19778352

IUPAC2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile
SMILESC[Si](C)(C)CCOCn1c(Br)nc(C#N)c1C#N
InChIInChI=1S/C11H15BrN4OSi/c1-18(2,3)5-4-17-8-16-10(7-14)9(6-13)15-11(16)12/h4-5,8H2,1-3H3
InChIKeyYAGJETJKTIILLT-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.70
Rot. Bonds5

About 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile

2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile (PubChem CID 19778352) has the molecular formula C11H15BrN4OSi and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile
PubChem CID19778352
Molecular FormulaC11H15BrN4OSi
Molecular Weight327.26 g/mol
Exact Mass326.02
IUPAC Name2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile
SMILESC[Si](C)(C)CCOCn1c(Br)nc(C#N)c1C#N
InChIInChI=1S/C11H15BrN4OSi/c1-18(2,3)5-4-17-8-16-10(7-14)9(6-13)15-11(16)12/h4-5,8H2,1-3H3
InChIKeyYAGJETJKTIILLT-UHFFFAOYSA-N
XLogP2.70
TPSA74.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile (CID 19778352) is 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile is C[Si](C)(C)CCOCn1c(Br)nc(C#N)c1C#N.
What is the InChIKey of 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is YAGJETJKTIILLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4OSi/c1-18(2,3)5-4-17-8-16-10(7-14)9(6-13)15-11(16)12/h4-5,8H2,1-3H3.
What are the key properties of 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile?
2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 327.26 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 19778352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).