About 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 55464406) has the molecular formula C22H19ClFN5O3
and a molecular weight of 455.88 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide.
Molecular Properties
| Compound Name | 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide |
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| PubChem CID | 55464406 |
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| Molecular Formula | C22H19ClFN5O3 |
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| Molecular Weight | 455.88 g/mol |
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| Exact Mass | 455.12 |
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| IUPAC Name | 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide |
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| SMILES | Cc1cc(NC(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3)C2=O)n(-c2ccc(F)cc2)n1 |
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| InChI | InChI=1S/C22H19ClFN5O3/c1-13-11-18(29(27-13)17-9-7-16(24)8-10-17)25-19(30)12-28-20(31)22(2,26-21(28)32)14-3-5-15(23)6-4-14/h3-11H,12H2,1-2H3,(H,25,30)(H,26,32) |
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| InChIKey | VRYPSTCTMYRQNV-UHFFFAOYSA-N |
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| XLogP | 3.38 |
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| TPSA | 96.33 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 455.88 |
| LogP ≤ 5 | 3.38 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide (CID 55464406) is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3)C2=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is VRYPSTCTMYRQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O3/c1-13-11-18(29(27-13)17-9-7-16(24)8-10-17)25-19(30)12-28-20(31)22(2,26-21(28)32)14-3-5-15(23)6-4-14/h3-11H,12H2,1-2H3,(H,25,30)(H,26,32).
What are the key properties of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 455.88 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 55464406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).