About (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one (PubChem CID 6525622) has the molecular formula C25H22FN3O2
and a molecular weight of 415.47 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one.
Molecular Properties
| Compound Name | (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one |
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| PubChem CID | 6525622 |
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| Molecular Formula | C25H22FN3O2 |
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| Molecular Weight | 415.47 g/mol |
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| Exact Mass | 415.17 |
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| IUPAC Name | (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one |
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| SMILES | COc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)N=C2c2ccccc2F)cc1 |
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| InChI | InChI=1S/C25H22FN3O2/c1-28(2)18-10-8-17(9-11-18)16-23-25(30)29(19-12-14-20(31-3)15-13-19)24(27-23)21-6-4-5-7-22(21)26/h4-16H,1-3H3/b23-16- |
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| InChIKey | GLXBESPGCHYYQP-KQWNVCNZSA-N |
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| XLogP | 4.73 |
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| TPSA | 45.14 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 31 |
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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 | 415.47 |
| LogP ≤ 5 | 4.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one (CID 6525622) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one is COc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)N=C2c2ccccc2F)cc1.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one?
The InChIKey is GLXBESPGCHYYQP-KQWNVCNZSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-28(2)18-10-8-17(9-11-18)16-23-25(30)29(19-12-14-20(31-3)15-13-19)24(27-23)21-6-4-5-7-22(21)26/h4-16H,1-3H3/b23-16-.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one has a molecular weight of 415.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)-3-(4-methoxyphenyl)imidazol-4-one is sourced from PubChem (CID 6525622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).