About (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one (PubChem CID 6448400) has the molecular formula C27H24N4O5
and a molecular weight of 484.51 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one.
Molecular Properties
| Compound Name | (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one |
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| PubChem CID | 6448400 |
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| Molecular Formula | C27H24N4O5 |
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| Molecular Weight | 484.51 g/mol |
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| Exact Mass | 484.17 |
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| IUPAC Name | (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one |
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| SMILES | COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1 |
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| InChI | InChI=1S/C27H24N4O5/c1-35-24-12-2-19(3-13-24)18-25-27(32)30(26(28-25)20-4-6-23(7-5-20)31(33)34)22-10-8-21(9-11-22)29-14-16-36-17-15-29/h2-13,18H,14-17H2,1H3/b25-18- |
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| InChIKey | OQWMIYJEQYZUHR-BWAHOGKJSA-N |
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| XLogP | 4.27 |
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| TPSA | 97.51 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 36 |
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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 | 484.51 |
| LogP ≤ 5 | 4.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one (CID 6448400) is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one is COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one?
The InChIKey is OQWMIYJEQYZUHR-BWAHOGKJSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-35-24-12-2-19(3-13-24)18-25-27(32)30(26(28-25)20-4-6-23(7-5-20)31(33)34)22-10-8-21(9-11-22)29-14-16-36-17-15-29/h2-13,18H,14-17H2,1H3/b25-18-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one has a molecular weight of 484.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one is sourced from PubChem (CID 6448400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).