About 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135686891) has the molecular formula C32H34N6OSi
and a molecular weight of 546.75 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 135686891 |
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| Molecular Formula | C32H34N6OSi |
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| Molecular Weight | 546.75 g/mol |
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| Exact Mass | 546.26 |
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| IUPAC Name | 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | CCc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C |
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| InChI | InChI=1S/C32H34N6OSi/c1-5-24-26(22-12-14-33-15-13-22)19-34-20-27(24)23-10-11-30-25(18-23)31(32-35-28-8-6-7-9-29(28)36-32)37-38(30)21-39-16-17-40(2,3)4/h6-15,18-20H,5,16-17,21H2,1-4H3,(H,35,36) |
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| InChIKey | WDZGSFNOJAILIR-UHFFFAOYSA-N |
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| XLogP | 7.58 |
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| TPSA | 81.51 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 546.75 |
| LogP ≤ 5 | 7.58 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135686891) is 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is CCc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WDZGSFNOJAILIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6OSi/c1-5-24-26(22-12-14-33-15-13-22)19-34-20-27(24)23-10-11-30-25(18-23)31(32-35-28-8-6-7-9-29(28)36-32)37-38(30)21-39-16-17-40(2,3)4/h6-15,18-20H,5,16-17,21H2,1-4H3,(H,35,36).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 546.75 g/mol, XLogP of 7.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135686891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).