About 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 67679169) has the molecular formula C27H23ClF3N3O2
and a molecular weight of 513.95 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
Molecular Properties
| Compound Name | 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide |
|---|
| PubChem CID | 67679169 |
|---|
| Molecular Formula | C27H23ClF3N3O2 |
|---|
| Molecular Weight | 513.95 g/mol |
|---|
| Exact Mass | 513.14 |
|---|
| IUPAC Name | 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide |
|---|
| SMILES | C[C@@H](c1ccccc1)N1C(=O)C(CC(=O)NCc2cccc(C(F)(F)F)c2)N=C1c1ccc(Cl)cc1 |
|---|
| InChI | InChI=1S/C27H23ClF3N3O2/c1-17(19-7-3-2-4-8-19)34-25(20-10-12-22(28)13-11-20)33-23(26(34)36)15-24(35)32-16-18-6-5-9-21(14-18)27(29,30)31/h2-14,17,23H,15-16H2,1H3,(H,32,35)/t17-,23?/m0/s1 |
|---|
| InChIKey | XWLLUXGKFKBPHW-NVHKAFQKSA-N |
|---|
| XLogP | 5.78 |
|---|
| TPSA | 61.77 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 513.95 |
| LogP ≤ 5 | 5.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Analyze 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 67679169) is 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is C[C@@H](c1ccccc1)N1C(=O)C(CC(=O)NCc2cccc(C(F)(F)F)c2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is XWLLUXGKFKBPHW-NVHKAFQKSA-N. The full InChI is InChI=1S/C27H23ClF3N3O2/c1-17(19-7-3-2-4-8-19)34-25(20-10-12-22(28)13-11-20)33-23(26(34)36)15-24(35)32-16-18-6-5-9-21(14-18)27(29,30)31/h2-14,17,23H,15-16H2,1H3,(H,32,35)/t17-,23?/m0/s1.
What are the key properties of 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 513.95 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]-4H-imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 67679169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).