C238H201Cl2N27O17 — CID 158155290
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;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);methyl 4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]benzoate;2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone (PubChem CID 158155290) has the molecular formula C238H201Cl2N27O17 and a molecular weight of 3782.30 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;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);methyl 4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]benzoate;2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone.
| 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;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);methyl 4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]benzoate;2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone |
|---|---|
| PubChem CID | 158155290 |
| Molecular Formula | C238H201Cl2N27O17 |
| Molecular Weight | 3782.30 g/mol |
| Exact Mass | 3778.51 |
| 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;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);methyl 4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]benzoate;2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone |
| SMILES | 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(ccn5C)c4)[nH]c3c2)cc1.COC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(-n5cccc5)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4cccc(Cl)c4)cc3[nH]2)cc1.COc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COc1cccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)c1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccncc1 |
| InChI | InChI=1S/C30H27N3O.C26H24N4O.C26H21N3O2.C25H23N3O3.C23H20ClN3O.C22H17ClN2O2.3C22H18N2O2.C20H15N3O/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;1-31-22-11-7-20(8-12-22)26-27-23-13-4-18(16-24(23)28-26)17-25(30)19-5-9-21(10-6-19)29-14-2-3-15-29;1-28(2)20-11-9-17(10-12-20)23(29)15-16-4-13-21-22(14-16)27-24(26-21)18-5-7-19(8-6-18)25(30)31-3;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;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*1-26-18-10-8-16(9-11-18)21(25)14-15-7-12-19-20(13-15)24-22(23-19)17-5-3-2-4-6-17;24-19(15-8-10-21-11-9-15)13-14-6-7-17-18(12-14)23-20(22-17)16-4-2-1-3-5-16/h3-17,19H,18,20H2,1-2H3,(H,31,32);4-14,16H,15H2,1-3H3,(H,27,28);2-16H,17H2,1H3,(H,27,28);4-14H,15H2,1-3H3,(H,26,27);3-12,14H,13H2,1-2H3,(H,25,26);2-11,13H,12H2,1H3,(H,24,25);2-12,14H,13H2,1H3,(H,23,24);2*2-13H,14H2,1H3,(H,23,24);1-12H,13H2,(H,22,23) |
| InChIKey | FVPJHUSNNARQTM-UHFFFAOYSA-N |
| XLogP | 50.22 |
| TPSA | 565.66 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 284 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3782.30 |
| LogP ≤ 5 | 50.22 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 34 |