2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C26H37IN4O2Si2 — CID 58645429

IUPAC2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(I)ccc21
InChIInChI=1S/C26H37IN4O2Si2/c1-34(2,3)15-13-32-18-30-24-10-8-7-9-22(24)28-26(30)25-21-17-20(27)11-12-23(21)31(29-25)19-33-14-16-35(4,5)6/h7-12,17H,13-16,18-19H2,1-6H3
InChIKeyKNWQKWASSWJBTK-UHFFFAOYSA-N
MW620.68 g/mol
LogP7.28
Rot. Bonds11

About 2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58645429) has the molecular formula C26H37IN4O2Si2 and a molecular weight of 620.68 g/mol. Its IUPAC name is 2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID58645429
Molecular FormulaC26H37IN4O2Si2
Molecular Weight620.68 g/mol
Exact Mass620.15
IUPAC Name2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(I)ccc21
InChIInChI=1S/C26H37IN4O2Si2/c1-34(2,3)15-13-32-18-30-24-10-8-7-9-22(24)28-26(30)25-21-17-20(27)11-12-23(21)31(29-25)19-33-14-16-35(4,5)6/h7-12,17H,13-16,18-19H2,1-6H3
InChIKeyKNWQKWASSWJBTK-UHFFFAOYSA-N
XLogP7.28
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.68
LogP ≤ 57.28
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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 58645429) is 2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(I)ccc21.
What is the InChIKey of 2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KNWQKWASSWJBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37IN4O2Si2/c1-34(2,3)15-13-32-18-30-24-10-8-7-9-22(24)28-26(30)25-21-17-20(27)11-12-23(21)31(29-25)19-33-14-16-35(4,5)6/h7-12,17H,13-16,18-19H2,1-6H3.
What are the key properties of 2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 620.68 g/mol, XLogP of 7.28, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58645429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).