HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 166330Generated: October 28, 2026
1H-Benzimidazolium, 3-(2-ethoxy-2-oxoethyl)-1-methyl-2-(5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl)-, bromide (1:1)
1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)furan-2-yl]-1H-benzimidazolium bromide
https://huagongshe.com/en/chemical/166330
Identifiers & Physical Properties
| CAS No. | 72829-17-5 |
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| Molecular formula | C25H23BrN4O3 |
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| Average molar mass | 507.4 g/mol |
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| Monoisotopic mass | 506.09535 g/mol |
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| SMILES | CCOC(=O)Cn1c(-c2ccc(-c3ccn(-c4ccccc4)n3)o2)[n+](C)c2ccccc21.[Br-] |
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| InChIKey | DOIGBRIYFULADW-UHFFFAOYSA-M |
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| PubChem CID | 166330 |
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| EC No. | 276-907-2 |
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| DTXSID | DTXSID50276556 |
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Chemical & Physical Properties
| Topological polar surface area | 66.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 643 |
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| EPA Substance Registry System | 1H-Benzimidazolium, 1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl]-, bromide (72829-17-5) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| TSCA inventory status | TSCA listed |
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