HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57607Generated: November 5, 2026
2(3H)-Benzoxazolone, 3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-6-methyl-, monohydriodide
https://huagongshe.com/en/chemical/57607
Identifiers & Physical Properties
| CAS No. | 100037-06-7 |
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| Molecular formula | C20H21IN4O3 |
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| Average molar mass | 492.3 g/mol |
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| Monoisotopic mass | 492.06584 g/mol |
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| SMILES | Cc1ccc2c(c1)oc(=O)n2CCC(=O)c1ccc(NC2=NCC[NH2+]2)cc1.[I-] |
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| InChIKey | QOXXFQDCNVISMD-UHFFFAOYSA-N |
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| PubChem CID | 57607 |
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Chemical & Physical Properties
| Topological polar surface area | 87.6 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 600 |
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