HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11524924Generated: November 4, 2026
1-(3-Nitrobenzyl)-6-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
https://huagongshe.com/en/chemical/11524924
Identifiers & Physical Properties
| Molecular formula | C21H19N5O6 |
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| Average molar mass | 437.4 g/mol |
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| Monoisotopic mass | 437.13353334 g/mol |
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| SMILES | COc1cc(-c2cnc3[nH]c(=O)n(Cc4cccc([N+](=O)[O-])c4)c3n2)cc(OC)c1OC |
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| InChIKey | ZYIMFDYYRVCYEY-UHFFFAOYSA-N |
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| PubChem CID | 11524924 |
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Chemical & Physical Properties
| XLogP | 2.2 |
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| Topological polar surface area | 132 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 32 |
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| Formal charge | 0 |
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| Complexity | 664 |
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![1-(3-Nitrobenzyl)-6-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one molecular structure](/img/chemical/11524924.png)