2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane

C23H25I2N3O3SSi — CID 176847181

IUPAC2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)nc(I)c1I
InChIInChI=1S/C23H25I2N3O3SSi/c1-33(2,3)14-13-31-16-27-22(25)21(24)26-23(27)19-15-28(20-12-8-7-11-18(19)20)32(29,30)17-9-5-4-6-10-17/h4-12,15H,13-14,16H2,1-3H3
InChIKeyRTOXXKTWUUYORB-UHFFFAOYSA-N
MW705.43 g/mol
LogP6.26
Rot. Bonds8

About 2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 176847181) has the molecular formula C23H25I2N3O3SSi and a molecular weight of 705.43 g/mol. Its IUPAC name is 2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID176847181
Molecular FormulaC23H25I2N3O3SSi
Molecular Weight705.43 g/mol
Exact Mass704.95
IUPAC Name2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)nc(I)c1I
InChIInChI=1S/C23H25I2N3O3SSi/c1-33(2,3)14-13-31-16-27-22(25)21(24)26-23(27)19-15-28(20-12-8-7-11-18(19)20)32(29,30)17-9-5-4-6-10-17/h4-12,15H,13-14,16H2,1-3H3
InChIKeyRTOXXKTWUUYORB-UHFFFAOYSA-N
XLogP6.26
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.43
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]indole
CID 71694914
[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane
CID 12908469
1-(benzenesulfonyl)-3-pyridin-4-ylindole
CID 162652278
4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
CID 155534152
1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930
1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
CID 11244980
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
ethyl (2R)-2-[[5-[1-(benzenesulfonyl)indol-3-yl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate
CID 98397249
ethyl 4-[1-(benzenesulfonyl)indol-3-yl]-1H-pyrrole-3-carboxylate
CID 25222910
1-(benzenesulfonyl)indol-3-amine
CID 142808384
5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole
CID 101460041
tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
CID 11453175

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 176847181) is 2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)nc(I)c1I.
What is the InChIKey of 2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RTOXXKTWUUYORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25I2N3O3SSi/c1-33(2,3)14-13-31-16-27-22(25)21(24)26-23(27)19-15-28(20-12-8-7-11-18(19)20)32(29,30)17-9-5-4-6-10-17/h4-12,15H,13-14,16H2,1-3H3.
What are the key properties of 2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 705.43 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(benzenesulfonyl)indol-3-yl]-4,5-diiodoimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 176847181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).