C237H192F5N49O35 — CID 160833213
N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-(6-fluoro-1-hydroxybenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-[1-hydroxy-6-(trifluoromethyl)benzimidazol-2-yl]phenyl]benzamide;2-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-1-hydroxy-6-nitrobenzimidazole;1-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-nitrobenzimidazole;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-methylimidazole-4-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)propanamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide (PubChem CID 160833213) has the molecular formula C237H192F5N49O35 and a molecular weight of 4381.44 g/mol. Its IUPAC name is N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-(6-fluoro-1-hydroxybenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-[1-hydroxy-6-(trifluoromethyl)benzimidazol-2-yl]phenyl]benzamide;2-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-1-hydroxy-6-nitrobenzimidazole;1-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-nitrobenzimidazole;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-methylimidazole-4-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)propanamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide.
| Compound Name | N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-(6-fluoro-1-hydroxybenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-[1-hydroxy-6-(trifluoromethyl)benzimidazol-2-yl]phenyl]benzamide;2-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-1-hydroxy-6-nitrobenzimidazole;1-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-nitrobenzimidazole;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-methylimidazole-4-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)propanamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide |
|---|---|
| PubChem CID | 160833213 |
| Molecular Formula | C237H192F5N49O35 |
| Molecular Weight | 4381.44 g/mol |
| Exact Mass | 4378.47 |
| IUPAC Name | N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]-4-(dimethylamino)benzamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-(6-fluoro-1-hydroxybenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-[1-hydroxy-6-(trifluoromethyl)benzimidazol-2-yl]phenyl]benzamide;2-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-1-hydroxy-6-nitrobenzimidazole;1-hydroxy-2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-nitrobenzimidazole;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-methylimidazole-4-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)propanamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide |
| SMILES | CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C#N)cc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)O)cc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(F)(F)F)cc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(N(C)C)cc4n3O)cc2)cc1.COc1ccc(C#Cc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.Cc1ccc(CCC(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.Cn1ccnc1C(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.Cn1cncc1C(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.O=C(Cc1cccnc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.O=[N+]([O-])c1ccc2nc(-c3ccc(C#Cc4ccc(F)cc4)cc3)n(O)c2c1 |
| InChI | InChI=1S/C24H25N5O2.C23H19F3N4O2.C23H19N5O2.2C23H20N4O4.C22H19FN4O2.C22H15N3O4.C21H12FN3O3.C20H15N5O4.2C18H14N6O4/c1-27(2)19-11-7-17(8-12-19)24(30)25-18-9-5-16(6-10-18)23-26-21-14-13-20(28(3)4)15-22(21)29(23)31;1-29(2)18-10-5-15(6-11-18)22(31)27-17-8-3-14(4-9-17)21-28-19-12-7-16(23(24,25)26)13-20(19)30(21)32;1-27(2)19-10-6-17(7-11-19)23(29)25-18-8-4-16(5-9-18)22-26-20-12-3-15(14-24)13-21(20)28(22)30;1-26(2)18-10-5-15(6-11-18)22(28)24-17-8-3-14(4-9-17)21-25-19-12-7-16(23(29)30)13-20(19)27(21)31;1-15-2-4-16(5-3-15)6-13-22(28)24-18-9-7-17(8-10-18)23-25-20-12-11-19(27(30)31)14-21(20)26(23)29;1-26(2)18-10-5-15(6-11-18)22(28)24-17-8-3-14(4-9-17)21-25-19-12-7-16(23)13-20(19)27(21)29;1-29-19-11-6-16(7-12-19)3-2-15-4-8-17(9-5-15)22-23-20-13-10-18(25(27)28)14-21(20)24(22)26;22-17-9-5-15(6-10-17)2-1-14-3-7-16(8-4-14)21-23-19-12-11-18(25(27)28)13-20(19)24(21)26;26-19(10-13-2-1-9-21-12-13)22-15-5-3-14(4-6-15)20-23-17-8-7-16(25(28)29)11-18(17)24(20)27;1-22-10-19-9-16(22)18(25)20-12-4-2-11(3-5-12)17-21-14-7-6-13(24(27)28)8-15(14)23(17)26;1-22-9-8-19-17(22)18(25)20-12-4-2-11(3-5-12)16-21-14-7-6-13(24(27)28)10-15(14)23(16)26/h5-15,31H,1-4H3,(H,25,30);3-13,32H,1-2H3,(H,27,31);3-13,30H,1-2H3,(H,25,29);3-13,31H,1-2H3,(H,24,28)(H,29,30);2-5,7-12,14,29H,6,13H2,1H3,(H,24,28);3-13,29H,1-2H3,(H,24,28);4-14,26H,1H3;3-13,26H;1-9,11-12,27H,10H2,(H,22,26);2*2-10,26H,1H3,(H,20,25) |
| InChIKey | SHBOPNTXEWWSAT-UHFFFAOYSA-N |
| XLogP | 44.56 |
| TPSA | 1077.58 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 68 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 326 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4381.44 |
| LogP ≤ 5 | 44.56 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 68 |