trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane

C19H34N2O3Si2 — CID 175440411

IUPACtrimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCc1n(COCC[Si](C)(C)C)c2ccccc2[n+]1[O-]
InChIInChI=1S/C19H34N2O3Si2/c1-25(2,3)13-11-23-15-19-20(16-24-12-14-26(4,5)6)17-9-7-8-10-18(17)21(19)22/h7-10H,11-16H2,1-6H3
InChIKeyAZWUZBQXQFJCFI-UHFFFAOYSA-N
MW394.66 g/mol
LogP4.44
Rot. Bonds10

About trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane

trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane (PubChem CID 175440411) has the molecular formula C19H34N2O3Si2 and a molecular weight of 394.66 g/mol. Its IUPAC name is trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane
PubChem CID175440411
Molecular FormulaC19H34N2O3Si2
Molecular Weight394.66 g/mol
Exact Mass394.21
IUPAC Nametrimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCc1n(COCC[Si](C)(C)C)c2ccccc2[n+]1[O-]
InChIInChI=1S/C19H34N2O3Si2/c1-25(2,3)13-11-23-15-19-20(16-24-12-14-26(4,5)6)17-9-7-8-10-18(17)21(19)22/h7-10H,11-16H2,1-6H3
InChIKeyAZWUZBQXQFJCFI-UHFFFAOYSA-N
XLogP4.44
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.66
LogP ≤ 54.44
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'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane (CID 175440411) is trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCc1n(COCC[Si](C)(C)C)c2ccccc2[n+]1[O-].
What is the InChIKey of trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane?
The InChIKey is AZWUZBQXQFJCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3Si2/c1-25(2,3)13-11-23-15-19-20(16-24-12-14-26(4,5)6)17-9-7-8-10-18(17)21(19)22/h7-10H,11-16H2,1-6H3.
What are the key properties of trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane?
trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane has a molecular weight of 394.66 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane is sourced from PubChem (CID 175440411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).