2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile

C12H21N3OSi — CID 123189669

IUPAC2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile
SMILESCc1[nH]c(CC#N)nc1COCC[Si](C)(C)C
InChIInChI=1S/C12H21N3OSi/c1-10-11(15-12(14-10)5-6-13)9-16-7-8-17(2,3)4/h5,7-9H2,1-4H3,(H,14,15)
InChIKeyBIRCFFXRZCXATK-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.64
Rot. Bonds6

About 2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile

2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile (PubChem CID 123189669) has the molecular formula C12H21N3OSi and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile
PubChem CID123189669
Molecular FormulaC12H21N3OSi
Molecular Weight251.41 g/mol
Exact Mass251.15
IUPAC Name2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile
SMILESCc1[nH]c(CC#N)nc1COCC[Si](C)(C)C
InChIInChI=1S/C12H21N3OSi/c1-10-11(15-12(14-10)5-6-13)9-16-7-8-17(2,3)4/h5,7-9H2,1-4H3,(H,14,15)
InChIKeyBIRCFFXRZCXATK-UHFFFAOYSA-N
XLogP2.64
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile (CID 123189669) is 2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile is Cc1[nH]c(CC#N)nc1COCC[Si](C)(C)C.
What is the InChIKey of 2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile?
The InChIKey is BIRCFFXRZCXATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OSi/c1-10-11(15-12(14-10)5-6-13)9-16-7-8-17(2,3)4/h5,7-9H2,1-4H3,(H,14,15).
What are the key properties of 2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile?
2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile has a molecular weight of 251.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]acetonitrile is sourced from PubChem (CID 123189669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).