About (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one
(5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one (PubChem CID 5471576) has the molecular formula C45H30N4O3S2
and a molecular weight of 738.89 g/mol. Its IUPAC name is (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one.
Molecular Properties
| Compound Name | (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one |
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| PubChem CID | 5471576 |
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| Molecular Formula | C45H30N4O3S2 |
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| Molecular Weight | 738.89 g/mol |
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| Exact Mass | 738.18 |
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| IUPAC Name | (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one |
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| SMILES | O=C(c1ccccc1)c1ccc(N2C(=O)/C(=C/c3ccccc3S)N=C2c2ccccc2)c(N2C(=O)/C(=C/c3ccccc3S)N=C2c2ccccc2)c1 |
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| InChI | InChI=1S/C45H30N4O3S2/c50-41(29-14-4-1-5-15-29)34-24-25-37(48-42(30-16-6-2-7-17-30)46-35(44(48)51)26-32-20-10-12-22-39(32)53)38(28-34)49-43(31-18-8-3-9-19-31)47-36(45(49)52)27-33-21-11-13-23-40(33)54/h1-28,53-54H/b35-26-,36-27- |
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| InChIKey | UDTSIKWASHCMMQ-APKAYSKISA-N |
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| XLogP | 9.16 |
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| TPSA | 82.41 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 54 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 738.89 |
| LogP ≤ 5 | 9.16 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
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Analyze (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one (CID 5471576) is (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one is O=C(c1ccccc1)c1ccc(N2C(=O)/C(=C/c3ccccc3S)N=C2c2ccccc2)c(N2C(=O)/C(=C/c3ccccc3S)N=C2c2ccccc2)c1.
What is the InChIKey of (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one?
The InChIKey is UDTSIKWASHCMMQ-APKAYSKISA-N. The full InChI is InChI=1S/C45H30N4O3S2/c50-41(29-14-4-1-5-15-29)34-24-25-37(48-42(30-16-6-2-7-17-30)46-35(44(48)51)26-32-20-10-12-22-39(32)53)38(28-34)49-43(31-18-8-3-9-19-31)47-36(45(49)52)27-33-21-11-13-23-40(33)54/h1-28,53-54H/b35-26-,36-27-.
What are the key properties of (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one?
(5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one has a molecular weight of 738.89 g/mol, XLogP of 9.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 5471576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).