2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile

C12H21N3OSi — CID 71001888

IUPAC2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile
SMILESCc1cn(COCC[Si](C)(C)C)c(CC#N)n1
InChIInChI=1S/C12H21N3OSi/c1-11-9-15(12(14-11)5-6-13)10-16-7-8-17(2,3)4/h9H,5,7-8,10H2,1-4H3
InChIKeyIUFHNQLUDGJNPA-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile

2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile (PubChem CID 71001888) has the molecular formula C12H21N3OSi and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile
PubChem CID71001888
Molecular FormulaC12H21N3OSi
Molecular Weight251.41 g/mol
Exact Mass251.15
IUPAC Name2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile
SMILESCc1cn(COCC[Si](C)(C)C)c(CC#N)n1
InChIInChI=1S/C12H21N3OSi/c1-11-9-15(12(14-11)5-6-13)10-16-7-8-17(2,3)4/h9H,5,7-8,10H2,1-4H3
InChIKeyIUFHNQLUDGJNPA-UHFFFAOYSA-N
XLogP2.57
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile?
The IUPAC name of 2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile (CID 71001888) is 2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile is Cc1cn(COCC[Si](C)(C)C)c(CC#N)n1.
What is the InChIKey of 2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile?
The InChIKey is IUFHNQLUDGJNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OSi/c1-11-9-15(12(14-11)5-6-13)10-16-7-8-17(2,3)4/h9H,5,7-8,10H2,1-4H3.
What are the key properties of 2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile?
2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile has a molecular weight of 251.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile is sourced from PubChem (CID 71001888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).