About 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole
2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole (PubChem CID 21475642) has the molecular formula C42H24Cl2I4N4
and a molecular weight of 1163.20 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole.
Molecular Properties
| Compound Name | 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole |
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| PubChem CID | 21475642 |
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| Molecular Formula | C42H24Cl2I4N4 |
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| Molecular Weight | 1163.20 g/mol |
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| Exact Mass | 1161.76 |
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| IUPAC Name | 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole |
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| SMILES | Clc1ccccc1C1(C2(c3ccccc3Cl)N=C(c3ccc(I)cc3)C(c3ccc(I)cc3)=N2)N=C(c2ccc(I)cc2)C(c2ccc(I)cc2)=N1 |
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| InChI | InChI=1S/C42H24Cl2I4N4/c43-35-7-3-1-5-33(35)41(49-37(25-9-17-29(45)18-10-25)38(50-41)26-11-19-30(46)20-12-26)42(34-6-2-4-8-36(34)44)51-39(27-13-21-31(47)22-14-27)40(52-42)28-15-23-32(48)24-16-28/h1-24H |
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| InChIKey | XUAFUDVMAUJOBY-UHFFFAOYSA-N |
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| XLogP | 12.40 |
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| TPSA | 49.44 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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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 | 1163.20 |
| LogP ≤ 5 | 12.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole?
The IUPAC name of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole (CID 21475642) is 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole?
The canonical SMILES for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole is Clc1ccccc1C1(C2(c3ccccc3Cl)N=C(c3ccc(I)cc3)C(c3ccc(I)cc3)=N2)N=C(c2ccc(I)cc2)C(c2ccc(I)cc2)=N1.
What is the InChIKey of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole?
The InChIKey is XUAFUDVMAUJOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24Cl2I4N4/c43-35-7-3-1-5-33(35)41(49-37(25-9-17-29(45)18-10-25)38(50-41)26-11-19-30(46)20-12-26)42(34-6-2-4-8-36(34)44)51-39(27-13-21-31(47)22-14-27)40(52-42)28-15-23-32(48)24-16-28/h1-24H.
What are the key properties of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole?
2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole has a molecular weight of 1163.20 g/mol, XLogP of 12.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-iodophenyl)imidazol-2-yl]-4,5-bis(4-iodophenyl)imidazole is sourced from PubChem (CID 21475642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).