About 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 58577646) has the molecular formula C26H29N5O3Si
and a molecular weight of 487.64 g/mol. Its IUPAC name is 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one.
Molecular Properties
| Compound Name | 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one |
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| PubChem CID | 58577646 |
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| Molecular Formula | C26H29N5O3Si |
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| Molecular Weight | 487.64 g/mol |
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| Exact Mass | 487.20 |
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| IUPAC Name | 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one |
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| SMILES | Cc1ccnc2c1[nH]c(=O)n2-c1ccc(Oc2nc3ccccc3n2COCC[Si](C)(C)C)cc1 |
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| InChI | InChI=1S/C26H29N5O3Si/c1-18-13-14-27-24-23(18)29-25(32)31(24)19-9-11-20(12-10-19)34-26-28-21-7-5-6-8-22(21)30(26)17-33-15-16-35(2,3)4/h5-14H,15-17H2,1-4H3,(H,29,32) |
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| InChIKey | UUWXGFOBWKFAQE-UHFFFAOYSA-N |
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| XLogP | 5.48 |
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| TPSA | 86.96 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 487.64 |
| LogP ≤ 5 | 5.48 |
| H-Bond Donors ≤ 5 | 1 |
| 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 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one (CID 58577646) is 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one is Cc1ccnc2c1[nH]c(=O)n2-c1ccc(Oc2nc3ccccc3n2COCC[Si](C)(C)C)cc1.
What is the InChIKey of 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is UUWXGFOBWKFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3Si/c1-18-13-14-27-24-23(18)29-25(32)31(24)19-9-11-20(12-10-19)34-26-28-21-7-5-6-8-22(21)30(26)17-33-15-16-35(2,3)4/h5-14H,15-17H2,1-4H3,(H,29,32).
What are the key properties of 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?
7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 487.64 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58577646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).