C160H167ClF12N40O9 — CID 167536322
2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid (PubChem CID 167536322) has the molecular formula C160H167ClF12N40O9 and a molecular weight of 3057.80 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid.
| Compound Name | 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid |
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| PubChem CID | 167536322 |
| Molecular Formula | C160H167ClF12N40O9 |
| Molecular Weight | 3057.80 g/mol |
| Exact Mass | 3055.33 |
| IUPAC Name | 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid |
| SMILES | CC(C)n1cnc(-c2ccc(Cl)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(C(=O)O)cc2)[nH]1.CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2)[nH]1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(C)C)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1 |
| InChI | InChI=1S/C29H34FN7O.C28H32ClN7O2.C28H27F6N7O.C27H28F3N7O.C25H26FN7O.C23H20FN5O3/c1-29(2,3)18-37-19-32-25(20-5-7-21(30)8-6-20)26(37)27-31-17-24(34-27)28(38)33-22-9-11-23(12-10-22)36-15-13-35(4)14-16-36;1-19(2)36-18-31-25(20-3-5-21(29)6-4-20)26(36)27-30-17-24(33-27)28(38)32-22-7-9-23(10-8-22)35-13-11-34(12-14-35)15-16-37;1-27(30,31)15-41-17-36-23(18-2-4-19(29)5-3-18)24(41)25-35-14-22(38-25)26(42)37-20-6-8-21(9-7-20)40-12-10-39(11-13-40)16-28(32,33)34;1-27(29,30)16-37-17-32-23(18-3-5-19(28)6-4-18)24(37)25-31-15-22(34-25)26(38)33-20-7-9-21(10-8-20)36-13-11-35(2)12-14-36;1-31-11-13-33(14-12-31)20-9-7-19(8-10-20)29-25(34)21-15-27-24(30-21)23-22(28-16-32(23)2)17-3-5-18(26)6-4-17;1-13(2)29-12-26-19(14-3-7-16(24)8-4-14)20(29)21-25-11-18(28-21)22(30)27-17-9-5-15(6-10-17)23(31)32/h5-12,17,19H,13-16,18H2,1-4H3,(H,31,34)(H,33,38);3-10,17-19,37H,11-16H2,1-2H3,(H,30,33)(H,32,38);2-9,14,17H,10-13,15-16H2,1H3,(H,35,38)(H,37,42);3-10,15,17H,11-14,16H2,1-2H3,(H,31,34)(H,33,38);3-10,15-16H,11-14H2,1-2H3,(H,27,30)(H,29,34);3-13H,1-2H3,(H,25,28)(H,27,30)(H,31,32) |
| InChIKey | APOBSSQFCFZTFA-UHFFFAOYSA-N |
| XLogP | 28.31 |
| TPSA | 543.53 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 222 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3057.80 |
| LogP ≤ 5 | 28.31 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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