About 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 22352388) has the molecular formula C33H44N4O3Si2
and a molecular weight of 600.91 g/mol. Its IUPAC name is 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 22352388 |
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| Molecular Formula | C33H44N4O3Si2 |
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| Molecular Weight | 600.91 g/mol |
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| Exact Mass | 600.30 |
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| IUPAC Name | 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4n2COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)c1 |
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| InChI | InChI=1S/C33H44N4O3Si2/c1-38-27-12-10-11-25(21-27)26-15-16-30-28(22-26)32(35-37(30)24-40-18-20-42(5,6)7)33-34-29-13-8-9-14-31(29)36(33)23-39-17-19-41(2,3)4/h8-16,21-22H,17-20,23-24H2,1-7H3 |
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| InChIKey | FXMQXCCMOFWUQN-UHFFFAOYSA-N |
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| XLogP | 8.35 |
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| TPSA | 63.33 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 600.91 |
| LogP ≤ 5 | 8.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 22352388) is 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4n2COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is FXMQXCCMOFWUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O3Si2/c1-38-27-12-10-11-25(21-27)26-15-16-30-28(22-26)32(35-37(30)24-40-18-20-42(5,6)7)33-34-29-13-8-9-14-31(29)36(33)23-39-17-19-41(2,3)4/h8-16,21-22H,17-20,23-24H2,1-7H3.
What are the key properties of 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 600.91 g/mol, XLogP of 8.35, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22352388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).