About 2-(1H-imidazol-2-yl)ethanol;hydrobromide
2-(1H-imidazol-2-yl)ethanol;hydrobromide (PubChem CID 175547099) has the molecular formula C5H9BrN2O
and a molecular weight of 193.04 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)ethanol;hydrobromide.
Molecular Properties
| Compound Name | 2-(1H-imidazol-2-yl)ethanol;hydrobromide |
|---|
| PubChem CID | 175547099 |
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| Molecular Formula | C5H9BrN2O |
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| Molecular Weight | 193.04 g/mol |
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| Exact Mass | 191.99 |
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| IUPAC Name | 2-(1H-imidazol-2-yl)ethanol;hydrobromide |
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| SMILES | Br.OCCc1ncc[nH]1 |
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| InChI | InChI=1S/C5H8N2O.BrH/c8-4-1-5-6-2-3-7-5;/h2-3,8H,1,4H2,(H,6,7);1H |
|---|
| InChIKey | CHOYJZJYAIEPGN-UHFFFAOYSA-N |
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| XLogP | 0.52 |
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| TPSA | 48.91 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 193.04 |
| LogP ≤ 5 | 0.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(1H-imidazol-2-yl)ethanol;hydrobromide?
The IUPAC name of 2-(1H-imidazol-2-yl)ethanol;hydrobromide (CID 175547099) is 2-(1H-imidazol-2-yl)ethanol;hydrobromide.
What is the SMILES notation for 2-(1H-imidazol-2-yl)ethanol;hydrobromide?
The canonical SMILES for 2-(1H-imidazol-2-yl)ethanol;hydrobromide is Br.OCCc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)ethanol;hydrobromide?
The InChIKey is CHOYJZJYAIEPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.BrH/c8-4-1-5-6-2-3-7-5;/h2-3,8H,1,4H2,(H,6,7);1H.
What are the key properties of 2-(1H-imidazol-2-yl)ethanol;hydrobromide?
2-(1H-imidazol-2-yl)ethanol;hydrobromide has a molecular weight of 193.04 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)ethanol;hydrobromide is sourced from PubChem (CID 175547099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).