1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride

C13H19ClN2O3SSi — CID 155711383

IUPAC1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride
SMILESC[Si](C)(C)CCOCn1cnc2c(S(=O)(=O)Cl)cccc21
InChIInChI=1S/C13H19ClN2O3SSi/c1-21(2,3)8-7-19-10-16-9-15-13-11(16)5-4-6-12(13)20(14,17)18/h4-6,9H,7-8,10H2,1-3H3
InChIKeyAAXKSUZVNXYMLY-UHFFFAOYSA-N
MW346.91 g/mol
LogP3.28
Rot. Bonds6

About 1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride

1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride (PubChem CID 155711383) has the molecular formula C13H19ClN2O3SSi and a molecular weight of 346.91 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride
PubChem CID155711383
Molecular FormulaC13H19ClN2O3SSi
Molecular Weight346.91 g/mol
Exact Mass346.06
IUPAC Name1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride
SMILESC[Si](C)(C)CCOCn1cnc2c(S(=O)(=O)Cl)cccc21
InChIInChI=1S/C13H19ClN2O3SSi/c1-21(2,3)8-7-19-10-16-9-15-13-11(16)5-4-6-12(13)20(14,17)18/h4-6,9H,7-8,10H2,1-3H3
InChIKeyAAXKSUZVNXYMLY-UHFFFAOYSA-N
XLogP3.28
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 156708080
2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 68902357
tert-butyl 3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]azetidine-1-carboxylate
CID 156708178
2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 154675122
1-[6-[2,6-difluoro-3-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]sulfonylmethyl]phenyl]-7-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]propan-1-one
CID 167675368
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
trimethyl-[2-[(3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl]silane
CID 170762612
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
trimethyl-[2-[[7-(2-trimethylsilylethoxymethoxy)benzimidazol-1-yl]methoxy]ethyl]silane
CID 67293077
7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid
CID 171799512
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943

Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride (CID 155711383) is 1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride is C[Si](C)(C)CCOCn1cnc2c(S(=O)(=O)Cl)cccc21.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride?
The InChIKey is AAXKSUZVNXYMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3SSi/c1-21(2,3)8-7-19-10-16-9-15-13-11(16)5-4-6-12(13)20(14,17)18/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride?
1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride has a molecular weight of 346.91 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride is sourced from PubChem (CID 155711383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).