About 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one
1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one (PubChem CID 46881463) has the molecular formula C15H20ClN3O
and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one.
Molecular Properties
| Compound Name | 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one |
| PubChem CID | 46881463 |
| Molecular Formula | C15H20ClN3O |
| Molecular Weight | 293.80 g/mol |
| Exact Mass | 293.13 |
| IUPAC Name | 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one |
| SMILES | O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1 |
| InChI | InChI=1S/C15H20ClN3O/c16-12-4-3-6-14(10-12)19-9-8-18(15(19)20)11-13-5-1-2-7-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2 |
| InChIKey | HVSRNYNPOUFDNJ-UHFFFAOYSA-N |
| XLogP | 2.72 |
| TPSA | 35.58 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 293.80 |
| LogP ≤ 5 | 2.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one (CID 46881463) is 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one is O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one?
The InChIKey is HVSRNYNPOUFDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-12-4-3-6-14(10-12)19-9-8-18(15(19)20)11-13-5-1-2-7-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2.
What are the key properties of 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one?
1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one has a molecular weight of 293.80 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 46881463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).