2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane

C16H21ClN2O3SSi — CID 87362188

IUPAC2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC#Cc1cc(Cl)cc2c1nc(S(C)(=O)=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C16H21ClN2O3SSi/c1-6-12-9-13(17)10-14-15(12)18-16(23(2,20)21)19(14)11-22-7-8-24(3,4)5/h1,9-10H,7-8,11H2,2-5H3
InChIKeyUTBJWYVABKVJFF-UHFFFAOYSA-N
MW384.96 g/mol
LogP3.39
Rot. Bonds6

About 2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 87362188) has the molecular formula C16H21ClN2O3SSi and a molecular weight of 384.96 g/mol. Its IUPAC name is 2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID87362188
Molecular FormulaC16H21ClN2O3SSi
Molecular Weight384.96 g/mol
Exact Mass384.07
IUPAC Name2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC#Cc1cc(Cl)cc2c1nc(S(C)(=O)=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C16H21ClN2O3SSi/c1-6-12-9-13(17)10-14-15(12)18-16(23(2,20)21)19(14)11-22-7-8-24(3,4)5/h1,9-10H,7-8,11H2,2-5H3
InChIKeyUTBJWYVABKVJFF-UHFFFAOYSA-N
XLogP3.39
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.96
LogP ≤ 53.39
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71074304
4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride
CID 86761667
3-(2-bromoethyl)-4,6-dichloro-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylic acid
CID 152642755
[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
CID 153403198
3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
CID 86688715
2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 131736189
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
[6-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
CID 153403274
2-[(4-bromo-6-chloroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 140807311
2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 131745144
2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58765592

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane (CID 87362188) is 2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane is C#Cc1cc(Cl)cc2c1nc(S(C)(=O)=O)n2COCC[Si](C)(C)C.
What is the InChIKey of 2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is UTBJWYVABKVJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3SSi/c1-6-12-9-13(17)10-14-15(12)18-16(23(2,20)21)19(14)11-22-7-8-24(3,4)5/h1,9-10H,7-8,11H2,2-5H3.
What are the key properties of 2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 384.96 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 87362188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).