C200H168F3N37O28 — CID 161412097
N-[4-(6-acetyl-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;N-[4-(5-cyano-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-(1-hydroxybenzimidazol-2-yl)phenyl]benzamide;N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-4-fluorobenzamide;4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 161412097) has the molecular formula C200H168F3N37O28 and a molecular weight of 3594.77 g/mol. Its IUPAC name is N-[4-(6-acetyl-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;N-[4-(5-cyano-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-(1-hydroxybenzimidazol-2-yl)phenyl]benzamide;N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-4-fluorobenzamide;4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide.
| Compound Name | N-[4-(6-acetyl-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;N-[4-(5-cyano-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-(1-hydroxybenzimidazol-2-yl)phenyl]benzamide;N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-4-fluorobenzamide;4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide |
|---|---|
| PubChem CID | 161412097 |
| Molecular Formula | C200H168F3N37O28 |
| Molecular Weight | 3594.77 g/mol |
| Exact Mass | 3592.28 |
| IUPAC Name | N-[4-(6-acetyl-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;N-[4-(5-cyano-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-(1-hydroxybenzimidazol-2-yl)phenyl]benzamide;N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-4-fluorobenzamide;4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide |
| SMILES | CC(=O)c1ccc2nc(-c3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3)n(O)c2c1.CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4cc(C#N)ccc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4cc(C(=O)O)ccc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4n3O)cc2)cc1.CN(C)c1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n(O)c2c1.COc1ccc(C(=O)NCc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.Cc1ccc2c(c1)nc(-c1ccc(NC(=O)c3ccc(N(C)C)cc3)cc1)n2O.O=C(NCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccc(F)cc1.O=C(Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1)c1ccc(F)cc1 |
| InChI | InChI=1S/C24H22N4O3.C23H19N5O2.C23H20N4O4.C23H22N4O2.C22H19FN4O2.C22H18N4O5.C22H20N4O2.C21H15FN4O4.C20H13FN4O4/c1-15(29)18-8-13-21-22(14-18)28(31)23(26-21)16-4-9-19(10-5-16)25-24(30)17-6-11-20(12-7-17)27(2)3;1-27(2)19-10-6-17(7-11-19)23(29)25-18-8-4-16(5-9-18)22-26-20-13-15(14-24)3-12-21(20)28(22)30;1-26(2)18-10-5-15(6-11-18)22(28)24-17-8-3-14(4-9-17)21-25-19-13-16(23(29)30)7-12-20(19)27(21)31;1-15-4-13-21-20(14-15)25-22(27(21)29)16-5-9-18(10-6-16)24-23(28)17-7-11-19(12-8-17)26(2)3;1-26(2)18-11-12-19-20(13-18)27(29)21(25-19)14-5-9-17(10-6-14)24-22(28)15-3-7-16(23)8-4-15;1-31-18-9-6-16(7-10-18)22(27)23-13-14-2-4-15(5-3-14)21-24-19-11-8-17(26(29)30)12-20(19)25(21)28;1-25(2)18-13-9-16(10-14-18)22(27)23-17-11-7-15(8-12-17)21-24-19-5-3-4-6-20(19)26(21)28;22-16-7-5-15(6-8-16)21(27)23-12-13-1-3-14(4-2-13)20-24-18-10-9-17(26(29)30)11-19(18)25(20)28;21-14-6-4-12(5-7-14)20(26)22-15-3-1-2-13(10-15)19-23-17-9-8-16(25(28)29)11-18(17)24(19)27/h4-14,31H,1-3H3,(H,25,30);3-13,30H,1-2H3,(H,25,29);3-13,31H,1-2H3,(H,24,28)(H,29,30);4-14,29H,1-3H3,(H,24,28);3-13,29H,1-2H3,(H,24,28);2-12,28H,13H2,1H3,(H,23,27);3-14,28H,1-2H3,(H,23,27);1-11,28H,12H2,(H,23,27);1-11,27H,(H,22,26) |
| InChIKey | VVPHHZCRGXUDDN-UHFFFAOYSA-N |
| XLogP | 37.72 |
| TPSA | 840.60 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 268 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3594.77 |
| LogP ≤ 5 | 37.72 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 52 |
| Structural Alerts | {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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