tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium

C18H29N3O2SSi — CID 175566246

IUPACtert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium
SMILESCC(C)(C)[S+]([O-])N=Cc1ccc2c(c1)ncn2COCC[Si](C)(C)C
InChIInChI=1S/C18H29N3O2SSi/c1-18(2,3)24(22)20-12-15-7-8-17-16(11-15)19-13-21(17)14-23-9-10-25(4,5)6/h7-8,11-13H,9-10,14H2,1-6H3
InChIKeyXGCMJDUUMIFXDI-UHFFFAOYSA-N
MW379.60 g/mol
LogP4.23
Rot. Bonds7

About tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium

tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium (PubChem CID 175566246) has the molecular formula C18H29N3O2SSi and a molecular weight of 379.60 g/mol. Its IUPAC name is tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium.

Molecular Properties

Compound Nametert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium
PubChem CID175566246
Molecular FormulaC18H29N3O2SSi
Molecular Weight379.60 g/mol
Exact Mass379.17
IUPAC Nametert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium
SMILESCC(C)(C)[S+]([O-])N=Cc1ccc2c(c1)ncn2COCC[Si](C)(C)C
InChIInChI=1S/C18H29N3O2SSi/c1-18(2,3)24(22)20-12-15-7-8-17-16(11-15)19-13-21(17)14-23-9-10-25(4,5)6/h7-8,11-13H,9-10,14H2,1-6H3
InChIKeyXGCMJDUUMIFXDI-UHFFFAOYSA-N
XLogP4.23
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
(4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide
CID 177107936
2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
CID 175566095
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
(S)-N-[cyclopropyl-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methyl]-2-methylpropane-2-sulfinamide
CID 171777693
4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide
CID 175873640
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257

Frequently Asked Questions

What is the IUPAC name of tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium?
The IUPAC name of tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium (CID 175566246) is tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium.
What is the SMILES notation for tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium?
The canonical SMILES for tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium is CC(C)(C)[S+]([O-])N=Cc1ccc2c(c1)ncn2COCC[Si](C)(C)C.
What is the InChIKey of tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium?
The InChIKey is XGCMJDUUMIFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2SSi/c1-18(2,3)24(22)20-12-15-7-8-17-16(11-15)19-13-21(17)14-23-9-10-25(4,5)6/h7-8,11-13H,9-10,14H2,1-6H3.
What are the key properties of tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium?
tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium has a molecular weight of 379.60 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium is sourced from PubChem (CID 175566246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).