2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile

C23H41N5O3Si2 — CID 68956045

IUPAC2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile
SMILESC[Si](C)(C)CCOCn1ccnc1CC(C#N)(CO)Cc1nccn1COCC[Si](C)(C)C
InChIInChI=1S/C23H41N5O3Si2/c1-32(2,3)13-11-30-19-27-9-7-25-21(27)15-23(17-24,18-29)16-22-26-8-10-28(22)20-31-12-14-33(4,5)6/h7-10,29H,11-16,18-20H2,1-6H3
InChIKeyYEIYXALPJZYPLW-UHFFFAOYSA-N
MW491.79 g/mol
LogP3.99
Rot. Bonds15

About 2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile

2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile (PubChem CID 68956045) has the molecular formula C23H41N5O3Si2 and a molecular weight of 491.79 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile
PubChem CID68956045
Molecular FormulaC23H41N5O3Si2
Molecular Weight491.79 g/mol
Exact Mass491.27
IUPAC Name2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile
SMILESC[Si](C)(C)CCOCn1ccnc1CC(C#N)(CO)Cc1nccn1COCC[Si](C)(C)C
InChIInChI=1S/C23H41N5O3Si2/c1-32(2,3)13-11-30-19-27-9-7-25-21(27)15-23(17-24,18-29)16-22-26-8-10-28(22)20-31-12-14-33(4,5)6/h7-10,29H,11-16,18-20H2,1-6H3
InChIKeyYEIYXALPJZYPLW-UHFFFAOYSA-N
XLogP3.99
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile?
The IUPAC name of 2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile (CID 68956045) is 2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile.
What is the SMILES notation for 2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile?
The canonical SMILES for 2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile is C[Si](C)(C)CCOCn1ccnc1CC(C#N)(CO)Cc1nccn1COCC[Si](C)(C)C.
What is the InChIKey of 2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile?
The InChIKey is YEIYXALPJZYPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N5O3Si2/c1-32(2,3)13-11-30-19-27-9-7-25-21(27)15-23(17-24,18-29)16-22-26-8-10-28(22)20-31-12-14-33(4,5)6/h7-10,29H,11-16,18-20H2,1-6H3.
What are the key properties of 2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile?
2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile has a molecular weight of 491.79 g/mol, XLogP of 3.99, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile is sourced from PubChem (CID 68956045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).