About 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole
2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole (PubChem CID 22146481) has the molecular formula C42H24Cl2F4N4
and a molecular weight of 731.58 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole.
Molecular Properties
| Compound Name | 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole |
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| PubChem CID | 22146481 |
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| Molecular Formula | C42H24Cl2F4N4 |
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| Molecular Weight | 731.58 g/mol |
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| Exact Mass | 730.13 |
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| IUPAC Name | 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole |
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| SMILES | Fc1ccc(C2=NC(c3ccccc3Cl)(C3(c4ccccc4Cl)N=C(c4ccc(F)cc4)C(c4ccc(F)cc4)=N3)N=C2c2ccc(F)cc2)cc1 |
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| InChI | InChI=1S/C42H24Cl2F4N4/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 | JGDRZSSOPISKQM-UHFFFAOYSA-N |
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| XLogP | 10.54 |
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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 | 731.58 |
| LogP ≤ 5 | 10.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole?
The IUPAC name of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole (CID 22146481) is 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole?
The canonical SMILES for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole is Fc1ccc(C2=NC(c3ccccc3Cl)(C3(c4ccccc4Cl)N=C(c4ccc(F)cc4)C(c4ccc(F)cc4)=N3)N=C2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole?
The InChIKey is JGDRZSSOPISKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24Cl2F4N4/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-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole?
2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole has a molecular weight of 731.58 g/mol, XLogP of 10.54, 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-fluorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)imidazole is sourced from PubChem (CID 22146481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).