About (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine
(E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine (PubChem CID 46198089) has the molecular formula C44H32N6S2
and a molecular weight of 708.92 g/mol. Its IUPAC name is (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine.
Molecular Properties
| Compound Name | (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine |
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| PubChem CID | 46198089 |
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| Molecular Formula | C44H32N6S2 |
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| Molecular Weight | 708.92 g/mol |
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| Exact Mass | 708.21 |
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| IUPAC Name | (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine |
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| SMILES | C(=N/c1nc(-c2ccccc2)n(-c2ccccc2)c1SSc1c(/N=C/c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1)\c1ccccc1 |
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| InChI | InChI=1S/C44H32N6S2/c1-7-19-33(20-8-1)31-45-39-43(49(37-27-15-5-16-28-37)41(47-39)35-23-11-3-12-24-35)51-52-44-40(46-32-34-21-9-2-10-22-34)48-42(36-25-13-4-14-26-36)50(44)38-29-17-6-18-30-38/h1-32H/b45-31+,46-32+ |
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| InChIKey | GLLFPKJYVSTPOI-RQAFMBFTSA-N |
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| XLogP | 11.69 |
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| TPSA | 60.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 52 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 708.92 |
| LogP ≤ 5 | 11.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine?
The IUPAC name of (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine (CID 46198089) is (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine is C(=N/c1nc(-c2ccccc2)n(-c2ccccc2)c1SSc1c(/N=C/c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1)\c1ccccc1.
What is the InChIKey of (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine?
The InChIKey is GLLFPKJYVSTPOI-RQAFMBFTSA-N. The full InChI is InChI=1S/C44H32N6S2/c1-7-19-33(20-8-1)31-45-39-43(49(37-27-15-5-16-28-37)41(47-39)35-23-11-3-12-24-35)51-52-44-40(46-32-34-21-9-2-10-22-34)48-42(36-25-13-4-14-26-36)50(44)38-29-17-6-18-30-38/h1-32H/b45-31+,46-32+.
What are the key properties of (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine?
(E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine has a molecular weight of 708.92 g/mol, XLogP of 11.69, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine is sourced from PubChem (CID 46198089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).