5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde

C10H18N2O2Si — CID 87599786

IUPAC5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde
SMILESC[Si](C)(C)CCOCc1cnc(C=O)[nH]1
InChIInChI=1S/C10H18N2O2Si/c1-15(2,3)5-4-14-8-9-6-11-10(7-13)12-9/h6-7H,4-5,8H2,1-3H3,(H,11,12)
InChIKeyDMHQZFPGSGJZID-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.08
Rot. Bonds6

About 5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde

5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde (PubChem CID 87599786) has the molecular formula C10H18N2O2Si and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde
PubChem CID87599786
Molecular FormulaC10H18N2O2Si
Molecular Weight226.35 g/mol
Exact Mass226.11
IUPAC Name5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde
SMILESC[Si](C)(C)CCOCc1cnc(C=O)[nH]1
InChIInChI=1S/C10H18N2O2Si/c1-15(2,3)5-4-14-8-9-6-11-10(7-13)12-9/h6-7H,4-5,8H2,1-3H3,(H,11,12)
InChIKeyDMHQZFPGSGJZID-UHFFFAOYSA-N
XLogP2.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde?
The IUPAC name of 5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde (CID 87599786) is 5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde is C[Si](C)(C)CCOCc1cnc(C=O)[nH]1.
What is the InChIKey of 5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde?
The InChIKey is DMHQZFPGSGJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2Si/c1-15(2,3)5-4-14-8-9-6-11-10(7-13)12-9/h6-7H,4-5,8H2,1-3H3,(H,11,12).
What are the key properties of 5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde?
5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde has a molecular weight of 226.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 87599786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).