C225H188Cl2FN25O15 — CID 158013517
2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[4-(1-methoxyethenyl)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-(2-phenyl-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 158013517) has the molecular formula C225H188Cl2FN25O15 and a molecular weight of 3572.04 g/mol. Its IUPAC name is 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[4-(1-methoxyethenyl)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-(2-phenyl-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 | 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[4-(1-methoxyethenyl)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-(2-phenyl-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 | 158013517 |
| Molecular Formula | C225H188Cl2FN25O15 |
| Molecular Weight | 3572.04 g/mol |
| Exact Mass | 3568.41 |
| IUPAC Name | 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[4-(1-methoxyethenyl)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-(2-phenyl-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 | C=C(OC)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3[nH]2)cc1.CC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N5CCCC5)cc4)cc3[nH]2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4cccc(Cl)c4)cc3[nH]2)cc1.COc1cccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)c1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(CC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2)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.C29H23ClN4O2.C27H25N3O2.C26H25N3O2.C25H19N3O.C23H21N3O.C22H17ClN2O2.C22H18N2O2.C21H15FN2O/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;1-17-2-4-20(5-3-17)29(36)32-23-13-8-19(9-14-23)28-33-24-15-10-21(26(30)27(24)34-28)16-25(35)18-6-11-22(31)12-7-18;1-18(31)20-5-7-22(8-6-20)27-28-24-13-4-19(16-25(24)29-27)17-26(32)21-9-11-23(12-10-21)30-14-2-3-15-30;1-17(31-4)19-6-8-21(9-7-19)26-27-23-14-5-18(15-24(23)28-26)16-25(30)20-10-12-22(13-11-20)29(2)3;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;1-26(2)19-11-9-17(10-12-19)22(27)15-16-8-13-20-21(14-16)25-23(24-20)18-6-4-3-5-7-18;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;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);2-15H,16,31H2,1H3,(H,32,36)(H,33,34);4-13,16H,2-3,14-15,17H2,1H3,(H,28,29);5-15H,1,16H2,2-4H3,(H,27,28);1-16H,17H2,(H,26,27);3-14H,15H2,1-2H3,(H,24,25);2-11,13H,12H2,1H3,(H,24,25);2-12,14H,13H2,1H3,(H,23,24);1-12H,13H2,(H,23,24) |
| InChIKey | FFEKZHDEBZWFCO-UHFFFAOYSA-N |
| XLogP | 47.96 |
| TPSA | 555.38 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 268 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3572.04 |
| LogP ≤ 5 | 47.96 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'} |
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