About (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one
(5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one (PubChem CID 5471575) has the molecular formula C49H40N6O3
and a molecular weight of 760.90 g/mol. Its IUPAC name is (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one.
Molecular Properties
| Compound Name | (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one |
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| PubChem CID | 5471575 |
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| Molecular Formula | C49H40N6O3 |
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| Molecular Weight | 760.90 g/mol |
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| Exact Mass | 760.32 |
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| IUPAC Name | (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one |
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| SMILES | CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C(=O)c4ccccc4)cc3N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccccc3)C2=O)cc1 |
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| InChI | InChI=1S/C49H40N6O3/c1-52(2)39-25-20-33(21-26-39)30-41-48(57)54(46(50-41)36-16-10-6-11-17-36)43-29-24-38(45(56)35-14-8-5-9-15-35)32-44(43)55-47(37-18-12-7-13-19-37)51-42(49(55)58)31-34-22-27-40(28-23-34)53(3)4/h5-32H,1-4H3/b41-30-,42-31- |
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| InChIKey | AOCFQRXMYDTEMK-BAUNQOMESA-N |
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| XLogP | 8.72 |
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| TPSA | 88.89 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 760.90 |
| LogP ≤ 5 | 8.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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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Analyze (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one?
The IUPAC name of (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one (CID 5471575) is (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one is CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C(=O)c4ccccc4)cc3N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccccc3)C2=O)cc1.
What is the InChIKey of (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one?
The InChIKey is AOCFQRXMYDTEMK-BAUNQOMESA-N. The full InChI is InChI=1S/C49H40N6O3/c1-52(2)39-25-20-33(21-26-39)30-41-48(57)54(46(50-41)36-16-10-6-11-17-36)43-29-24-38(45(56)35-14-8-5-9-15-35)32-44(43)55-47(37-18-12-7-13-19-37)51-42(49(55)58)31-34-22-27-40(28-23-34)53(3)4/h5-32H,1-4H3/b41-30-,42-31-.
What are the key properties of (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one?
(5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one has a molecular weight of 760.90 g/mol, XLogP of 8.72, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 5471575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).