C224H179F4N43O41 — CID 157078727
(E)-3-(2,4-difluorophenyl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide;(E)-3-(3,4-difluorophenyl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]benzamide;(Z)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)propanamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 157078727) has the molecular formula C224H179F4N43O41 and a molecular weight of 4205.15 g/mol. Its IUPAC name is (E)-3-(2,4-difluorophenyl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide;(E)-3-(3,4-difluorophenyl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]benzamide;(Z)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)propanamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide.
| Compound Name | (E)-3-(2,4-difluorophenyl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide;(E)-3-(3,4-difluorophenyl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]benzamide;(Z)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)propanamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide |
|---|---|
| PubChem CID | 157078727 |
| Molecular Formula | C224H179F4N43O41 |
| Molecular Weight | 4205.15 g/mol |
| Exact Mass | 4202.32 |
| IUPAC Name | (E)-3-(2,4-difluorophenyl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide;(E)-3-(3,4-difluorophenyl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide;2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid;4-(dimethylamino)-N-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]benzamide;(Z)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)propanamide;(E)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide |
| SMILES | CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)O)cc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(N(C)C)cc4n3O)cc2)cc1.COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.COc1ccccc1/C=C/C(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.COc1ccccc1/C=C\C(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.Cc1ccc(/C=C/C(=O)Nc2ccc(-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.O=C(/C=C/c1ccc(F)c(F)c1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.O=C(/C=C/c1ccc(F)cc1F)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 |
| InChI | InChI=1S/C24H25N5O2.3C23H18N4O5.2C23H20N4O4.C23H18N4O4.2C22H14F2N4O4.C18H14N6O4/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;1-32-19-10-2-15(3-11-19)4-13-22(28)24-17-7-5-16(6-8-17)23-25-20-12-9-18(27(30)31)14-21(20)26(23)29;2*1-32-21-5-3-2-4-15(21)8-13-22(28)24-17-9-6-16(7-10-17)23-25-19-12-11-18(27(30)31)14-20(19)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(29)30)13-20(19)27(21)31;2*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;23-17-8-1-13(11-18(17)24)2-10-21(29)25-15-5-3-14(4-6-15)22-26-19-9-7-16(28(31)32)12-20(19)27(22)30;23-15-5-1-13(18(24)11-15)4-10-21(29)25-16-6-2-14(3-7-16)22-26-19-9-8-17(28(31)32)12-20(19)27(22)30;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*2-14,29H,1H3,(H,24,28);3-13,31H,1-2H3,(H,24,28)(H,29,30);2-5,7-12,14,29H,6,13H2,1H3,(H,24,28);2-14,29H,1H3,(H,24,28);2*1-12,30H,(H,25,29);2-10,26H,1H3,(H,20,25)/b;13-4+;13-8+;13-8-;;;13-6+;10-2+;10-4+; |
| InChIKey | ADGXEVILOKIRKI-MFBBLFSISA-N |
| XLogP | 43.74 |
| TPSA | 1109.15 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 65 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 312 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4205.15 |
| LogP ≤ 5 | 43.74 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 65 |