C197H166ClFN24O13 — CID 159935304
4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-[4-(diethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone (PubChem CID 159935304) has the molecular formula C197H166ClFN24O13 and a molecular weight of 3132.10 g/mol. Its IUPAC name is 4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-[4-(diethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone.
| Compound Name | 4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-[4-(diethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone |
|---|---|
| PubChem CID | 159935304 |
| Molecular Formula | C197H166ClFN24O13 |
| Molecular Weight | 3132.10 g/mol |
| Exact Mass | 3129.27 |
| IUPAC Name | 4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-[4-(diethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone |
| SMILES | CCN(CC)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3[nH]2)cc1.COc1cccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)c1.Nc1ccc(C(=O)Cc2ccc3[nH]c(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)nc3c2Cl)cc1.Nc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc(-n2cccc2)cc1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc(F)cc1.O=C(Cc1ccccc1)Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2c1 |
| InChI | InChI=1S/C30H25N3O2.C28H22ClN5O2.C26H27N3O2.C25H19N3O.C24H23N3O2.C22H18N2O2.C21H15FN2O.C21H17N3O/c34-26(17-21-7-3-1-4-8-21)18-23-11-16-27-28(19-23)33-30(32-27)24-12-14-25(15-13-24)31-29(35)20-22-9-5-2-6-10-22;29-25-19(15-24(35)16-1-8-20(30)9-2-16)7-14-23-26(25)34-27(33-23)17-5-12-22(13-6-17)32-28(36)18-3-10-21(31)11-4-18;1-4-29(5-2)21-11-7-19(8-12-21)25(30)17-18-6-15-23-24(16-18)28-26(27-23)20-9-13-22(31-3)14-10-20;29-24(19-9-11-21(12-10-19)28-14-4-5-15-28)17-18-8-13-22-23(16-18)27-25(26-22)20-6-2-1-3-7-20;1-27(2)19-9-5-17(6-10-19)23(28)15-16-4-13-21-22(14-16)26-24(25-21)18-7-11-20(29-3)12-8-18;1-26-18-9-5-8-17(14-18)21(25)13-15-10-11-19-20(12-15)24-22(23-19)16-6-3-2-4-7-16;2*22-17-9-7-15(8-10-17)20(25)13-14-6-11-18-19(12-14)24-21(23-18)16-4-2-1-3-5-16/h1-16,19H,17-18,20H2,(H,31,35)(H,32,33);1-14H,15,30-31H2,(H,32,36)(H,33,34);6-16H,4-5,17H2,1-3H3,(H,27,28);1-16H,17H2,(H,26,27);4-14H,15H2,1-3H3,(H,25,26);2-12,14H,13H2,1H3,(H,23,24);1-12H,13H2,(H,23,24);1-12H,13,22H2,(H,23,24) |
| InChIKey | OAECHHDUZNCLAB-UHFFFAOYSA-N |
| XLogP | 40.87 |
| TPSA | 541.36 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 236 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3132.10 |
| LogP ≤ 5 | 40.87 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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