C204H180Cl2N26O9 — CID 158952363
2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone (PubChem CID 158952363) has the molecular formula C204H180Cl2N26O9 and a molecular weight of 3210.76 g/mol. Its IUPAC name is 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone.
| Compound Name | 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone |
|---|---|
| PubChem CID | 158952363 |
| Molecular Formula | C204H180Cl2N26O9 |
| Molecular Weight | 3210.76 g/mol |
| Exact Mass | 3207.38 |
| IUPAC Name | 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone |
| SMILES | CN(C)c1ccc(-c2nc3ccc(CC(=O)c4ccc5[nH]ccc5c4)cc3[nH]2)cc1.CN(C)c1ccc(-c2nc3ccc(CC(=O)c4cccc(Cl)c4)cc3[nH]2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(Cc5ccccc5)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(c4)C=CC5)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(c4)CC=C5)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(ccn5C)c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5ccn(C)c5c4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4cccc(Cl)c4)cc3[nH]2)cc1 |
| InChI | InChI=1S/C30H27N3O.2C26H24N4O.2C26H23N3O.C25H22N4O.C23H20ClN3O.C22H17ClN2O2/c1-33(2)26-15-13-24(14-16-26)29(34)20-23-10-17-27-28(19-23)32-30(31-27)25-11-8-22(9-12-25)18-21-6-4-3-5-7-21;1-29(2)21-8-5-18(6-9-21)25(31)15-17-4-10-22-23(14-17)28-26(27-22)20-7-11-24-19(16-20)12-13-30(24)3;1-29(2)21-9-7-19(8-10-21)25(31)15-17-4-11-22-23(14-17)28-26(27-22)20-6-5-18-12-13-30(3)24(18)16-20;2*1-29(2)22-11-9-19(10-12-22)25(30)15-17-6-13-23-24(14-17)28-26(27-23)21-8-7-18-4-3-5-20(18)16-21;1-29(2)20-7-4-17(5-8-20)25-27-22-9-3-16(13-23(22)28-25)14-24(30)19-6-10-21-18(15-19)11-12-26-21;1-27(2)19-9-7-16(8-10-19)23-25-20-11-6-15(12-21(20)26-23)13-22(28)17-4-3-5-18(24)14-17;1-27-18-8-6-15(7-9-18)22-24-19-10-5-14(11-20(19)25-22)12-21(26)16-3-2-4-17(23)13-16/h3-17,19H,18,20H2,1-2H3,(H,31,32);2*4-14,16H,15H2,1-3H3,(H,27,28);3,5-14,16H,4,15H2,1-2H3,(H,27,28);3-4,6-14,16H,5,15H2,1-2H3,(H,27,28);3-13,15,26H,14H2,1-2H3,(H,27,28);3-12,14H,13H2,1-2H3,(H,25,26);2-11,13H,12H2,1H3,(H,24,25) |
| InChIKey | JLOZDOBYSHMKOL-UHFFFAOYSA-N |
| XLogP | 43.21 |
| TPSA | 423.56 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 241 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3210.76 |
| LogP ≤ 5 | 43.21 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'} |
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