2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C25H28BrN3O4SSi — CID 57433530

IUPAC2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccccn2)nc2cc(Oc3ccc(S(C)(=O)=O)cc3)c(Br)cc21
InChIInChI=1S/C25H28BrN3O4SSi/c1-34(30,31)19-10-8-18(9-11-19)33-24-16-22-23(15-20(24)26)29(17-32-13-14-35(2,3)4)25(28-22)21-7-5-6-12-27-21/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyXLXWIXYUUFWTNV-UHFFFAOYSA-N
MW574.57 g/mol
LogP6.37
Rot. Bonds9

About 2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 57433530) has the molecular formula C25H28BrN3O4SSi and a molecular weight of 574.57 g/mol. Its IUPAC name is 2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID57433530
Molecular FormulaC25H28BrN3O4SSi
Molecular Weight574.57 g/mol
Exact Mass573.08
IUPAC Name2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccccn2)nc2cc(Oc3ccc(S(C)(=O)=O)cc3)c(Br)cc21
InChIInChI=1S/C25H28BrN3O4SSi/c1-34(30,31)19-10-8-18(9-11-19)33-24-16-22-23(15-20(24)26)29(17-32-13-14-35(2,3)4)25(28-22)21-7-5-6-12-27-21/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyXLXWIXYUUFWTNV-UHFFFAOYSA-N
XLogP6.37
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.57
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 57433530) is 2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccccn2)nc2cc(Oc3ccc(S(C)(=O)=O)cc3)c(Br)cc21.
What is the InChIKey of 2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is XLXWIXYUUFWTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN3O4SSi/c1-34(30,31)19-10-8-18(9-11-19)33-24-16-22-23(15-20(24)26)29(17-32-13-14-35(2,3)4)25(28-22)21-7-5-6-12-27-21/h5-12,15-16H,13-14,17H2,1-4H3.
What are the key properties of 2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 574.57 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 57433530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).