About 4-amino-1,3-dihydroimidazol-2-one
4-amino-1,3-dihydroimidazol-2-one (PubChem CID 19754593) has the molecular formula C3H5N3O
and a molecular weight of 99.09 g/mol. Its IUPAC name is 4-amino-1,3-dihydroimidazol-2-one.
Molecular Properties
| Compound Name | 4-amino-1,3-dihydroimidazol-2-one |
|---|
| PubChem CID | 19754593 |
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| Molecular Formula | C3H5N3O |
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| Molecular Weight | 99.09 g/mol |
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| Exact Mass | 99.04 |
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| IUPAC Name | 4-amino-1,3-dihydroimidazol-2-one |
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| SMILES | Nc1c[nH]c(=O)[nH]1 |
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| InChI | InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7) |
|---|
| InChIKey | DXRCJLWBMRIZEQ-UHFFFAOYSA-N |
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| XLogP | -0.71 |
|---|
| TPSA | 74.67 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 99.09 |
| LogP ≤ 5 | -0.71 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-amino-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-amino-1,3-dihydroimidazol-2-one (CID 19754593) is 4-amino-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-1,3-dihydroimidazol-2-one is Nc1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-amino-1,3-dihydroimidazol-2-one?
The InChIKey is DXRCJLWBMRIZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7).
What are the key properties of 4-amino-1,3-dihydroimidazol-2-one?
4-amino-1,3-dihydroimidazol-2-one has a molecular weight of 99.09 g/mol, XLogP of -0.71, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 19754593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).