2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane

C14H19F2IN2O3SSi — CID 71074304

IUPAC2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(S(C)(=O)=O)nc2c(F)c(I)c(F)cc21
InChIInChI=1S/C14H19F2IN2O3SSi/c1-23(20,21)14-18-13-10(7-9(15)12(17)11(13)16)19(14)8-22-5-6-24(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyWICMXEDHZBKUOE-UHFFFAOYSA-N
MW488.37 g/mol
LogP3.63
Rot. Bonds6

About 2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 71074304) has the molecular formula C14H19F2IN2O3SSi and a molecular weight of 488.37 g/mol. Its IUPAC name is 2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID71074304
Molecular FormulaC14H19F2IN2O3SSi
Molecular Weight488.37 g/mol
Exact Mass487.99
IUPAC Name2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(S(C)(=O)=O)nc2c(F)c(I)c(F)cc21
InChIInChI=1S/C14H19F2IN2O3SSi/c1-23(20,21)14-18-13-10(7-9(15)12(17)11(13)16)19(14)8-22-5-6-24(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyWICMXEDHZBKUOE-UHFFFAOYSA-N
XLogP3.63
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 87362188
[6-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
CID 153403274
[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
CID 153403198
ethyl 2-chloro-6,7-difluoro-3-(2-trimethylsilylethoxymethyl)benzimidazole-4-carboxylate
CID 145190736
2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123756088
4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride
CID 86761667
[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine
CID 86762617
1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
CID 22477945
8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one
CID 171842684
ethyl 2-[4-[4,6-difluoro-5-[4-[4-[[3-(methylsulfonylmethyl)azetidin-1-yl]methyl]phenyl]phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxycyclohexyl]acetate
CID 174072626
methyl 6,7-difluoro-2-(3-pyrrolidin-1-ylpropylamino)-3-(2-trimethylsilylethoxymethyl)benzimidazole-4-carboxylate
CID 140752419
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane (CID 71074304) is 2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(S(C)(=O)=O)nc2c(F)c(I)c(F)cc21.
What is the InChIKey of 2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is WICMXEDHZBKUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2IN2O3SSi/c1-23(20,21)14-18-13-10(7-9(15)12(17)11(13)16)19(14)8-22-5-6-24(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of 2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 488.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 71074304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).