C148H107Br2F3N20O5 — CID 157457326
5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 157457326) has the molecular formula C148H107Br2F3N20O5 and a molecular weight of 2462.42 g/mol. Its IUPAC name is 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.
| Compound Name | 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole |
|---|---|
| PubChem CID | 157457326 |
| Molecular Formula | C148H107Br2F3N20O5 |
| Molecular Weight | 2462.42 g/mol |
| Exact Mass | 2458.71 |
| IUPAC Name | 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole |
| SMILES | Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]1.Cc1ccc(-c2[nH]c(-c3c(C)[nH]c4ccccc34)nc2-c2ccc(Oc3ccccc3)cc2)cc1.Fc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1.Fc1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccccc2)cc1.O=[N+]([O-])c1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1 |
| InChI | InChI=1S/C31H25N3O.C24H18FN3.C24H18N4O2.C23H15BrFN3.C23H15BrN4O2.C23H16FN3/c1-20-12-14-22(15-13-20)29-30(23-16-18-25(19-17-23)35-24-8-4-3-5-9-24)34-31(33-29)28-21(2)32-27-11-7-6-10-26(27)28;1-15-21(19-9-5-6-10-20(19)26-15)24-27-22(16-7-3-2-4-8-16)23(28-24)17-11-13-18(25)14-12-17;1-15-21(19-9-5-6-10-20(19)25-15)24-26-22(16-7-3-2-4-8-16)23(27-24)17-11-13-18(14-12-17)28(29)30;24-16-8-11-20-18(12-16)19(13-26-20)23-27-21(14-4-2-1-3-5-14)22(28-23)15-6-9-17(25)10-7-15;24-16-8-11-20-18(12-16)19(13-25-20)23-26-21(14-4-2-1-3-5-14)22(27-23)15-6-9-17(10-7-15)28(29)30;24-17-12-10-16(11-13-17)22-21(15-6-2-1-3-7-15)26-23(27-22)19-14-25-20-9-5-4-8-18(19)20/h3-19,32H,1-2H3,(H,33,34);2-14,26H,1H3,(H,27,28);2-14,25H,1H3,(H,26,27);1-13,26H,(H,27,28);1-13,25H,(H,26,27);1-14,25H,(H,26,27) |
| InChIKey | BTNBSBYUUFVQBT-UHFFFAOYSA-N |
| XLogP | 40.14 |
| TPSA | 362.33 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 178 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2462.42 |
| LogP ≤ 5 | 40.14 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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