C153H117BrCl2F14N40O14S — CID 158446488
4-[[2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(2-ethenylimidazol-1-yl)methyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(2-fluoro-1,3-thiazol-5-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[[(3,5-dimethylpyrazole-1-carbonyl)amino]methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(2-fluoro-3-pyridinyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 158446488) has the molecular formula C153H117BrCl2F14N40O14S and a molecular weight of 3188.73 g/mol. Its IUPAC name is 4-[[2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(2-ethenylimidazol-1-yl)methyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(2-fluoro-1,3-thiazol-5-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[[(3,5-dimethylpyrazole-1-carbonyl)amino]methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(2-fluoro-3-pyridinyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
| Compound Name | 4-[[2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(2-ethenylimidazol-1-yl)methyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(2-fluoro-1,3-thiazol-5-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[[(3,5-dimethylpyrazole-1-carbonyl)amino]methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(2-fluoro-3-pyridinyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide |
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| PubChem CID | 158446488 |
| Molecular Formula | C153H117BrCl2F14N40O14S |
| Molecular Weight | 3188.73 g/mol |
| Exact Mass | 3184.77 |
| IUPAC Name | 4-[[2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(2-ethenylimidazol-1-yl)methyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(2-fluoro-1,3-thiazol-5-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[[(3,5-dimethylpyrazole-1-carbonyl)amino]methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(2-fluoro-3-pyridinyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide |
| SMILES | C=Cc1nccn1-c1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=Cc1nccn1Cc1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1Cl.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(-c5cc(Br)no5)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(-c5cccnc5F)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CNC(=O)n5nc(C)cc5C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(-c5cnc(F)s5)c4)[nH]c3c2)ccn1 |
| InChI | InChI=1S/C28H25F3N8O3.C26H22ClN7O2.C26H18F4N6O2.C26H20F3N7O2.C24H16BrF3N6O3.C23H16ClFN6O2S/c1-15-10-16(2)39(38-15)27(41)34-14-17-4-5-18(11-21(17)28(29,30)31)35-26-36-22-7-6-19(12-23(22)37-26)42-20-8-9-33-24(13-20)25(40)32-3;1-3-24-30-10-11-34(24)15-16-12-17(4-6-20(16)27)31-26-32-21-7-5-18(13-22(21)33-26)36-19-8-9-29-23(14-19)25(35)28-2;1-31-24(37)22-13-16(8-10-32-22)38-15-5-7-20-21(12-15)36-25(35-20)34-14-4-6-17(19(11-14)26(28,29)30)18-3-2-9-33-23(18)27;1-3-23-32-10-11-36(23)22-7-4-15(12-18(22)26(27,28)29)33-25-34-19-6-5-16(13-20(19)35-25)38-17-8-9-31-21(14-17)24(37)30-2;1-29-22(35)19-10-14(6-7-30-19)36-13-3-5-17-18(9-13)33-23(32-17)31-12-2-4-15(16(8-12)24(26,27)28)20-11-21(25)34-37-20;1-26-21(32)19-10-14(6-7-27-19)33-13-3-5-17-18(9-13)31-23(30-17)29-12-2-4-16(24)15(8-12)20-11-28-22(25)34-20/h4-13H,14H2,1-3H3,(H,32,40)(H,34,41)(H2,35,36,37);3-14H,1,15H2,2H3,(H,28,35)(H2,31,32,33);2-13H,1H3,(H,31,37)(H2,34,35,36);3-14H,1H2,2H3,(H,30,37)(H2,33,34,35);2-11H,1H3,(H,29,35)(H2,31,32,33);2-11H,1H3,(H,26,32)(H2,29,30,31) |
| InChIKey | HDLMQFHEBRSGBG-UHFFFAOYSA-N |
| XLogP | 34.67 |
| TPSA | 685.95 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 225 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3188.73 |
| LogP ≤ 5 | 34.67 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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