C217H180N24O19 — CID 158019411
N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone (PubChem CID 158019411) has the molecular formula C217H180N24O19 and a molecular weight of 3427.98 g/mol. Its IUPAC name is N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone.
| Compound Name | N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone |
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| PubChem CID | 158019411 |
| Molecular Formula | C217H180N24O19 |
| Molecular Weight | 3427.98 g/mol |
| Exact Mass | 3425.39 |
| IUPAC Name | N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone |
| SMILES | CN(C)c1ccc(C2=Nc3ccc(-c4ccc5nc(-c6ccc(N(C)C)cc6)[nH]c5c4)cc3C2)cc1.COC(=O)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)NN)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)O)cc4)cc3[nH]2)cc1.COc1ccc(C2=Nc3ccc(-c4ccc5nc(-c6ccc(OC)cc6)[nH]c5c4)cc3C2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(CC(=O)c5ccc(N)cc5)cc4[nH]3)cc2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccccc3)cc2)cc1)c1ccccc1.O=C(Cc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1)c1ccccc1 |
| InChI | InChI=1S/C31H29N5.C29H24N4O2.C29H23N3O2.C29H22O3.C28H21N3O2.C25H23N3O3.C23H20N4O3.C23H18N2O4/c1-35(2)25-11-5-20(6-12-25)29-19-24-17-22(9-15-27(24)32-29)23-10-16-28-30(18-23)34-31(33-28)21-7-13-26(14-8-21)36(3)4;1-18-2-5-22(6-3-18)29(35)31-24-13-9-21(10-14-24)28-32-25-15-4-19(16-26(25)33-28)17-27(34)20-7-11-23(30)12-8-20;1-33-23-9-3-18(4-10-23)27-17-22-15-20(7-13-25(22)30-27)21-8-14-26-28(16-21)32-29(31-26)19-5-11-24(34-2)12-6-19;30-27(23-7-3-1-4-8-23)19-21-11-15-25(16-12-21)29(32)26-17-13-22(14-18-26)20-28(31)24-9-5-2-6-10-24;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-22(15-13-21)28(33)29-23-9-5-2-6-10-23;1-28(2)20-11-9-18(10-12-20)24-26-21-13-4-16(14-22(21)27-24)15-23(29)17-5-7-19(8-6-17)25(30)31-3;1-30-18-9-7-16(8-10-18)22-25-19-11-2-14(12-20(19)26-22)13-21(28)15-3-5-17(6-4-15)23(29)27-24;1-29-18-9-7-16(8-10-18)22-24-19-11-2-14(12-20(19)25-22)13-21(26)15-3-5-17(6-4-15)23(27)28/h5-18H,19H2,1-4H3,(H,33,34);2-16H,17,30H2,1H3,(H,31,35)(H,32,33);3-16H,17H2,1-2H3,(H,31,32);1-18H,19-20H2;1-17H,18H2,(H,29,33)(H,30,31);4-14H,15H2,1-3H3,(H,26,27);2-12H,13,24H2,1H3,(H,25,26)(H,27,29);2-12H,13H2,1H3,(H,24,25)(H,27,28) |
| InChIKey | FFWLNBLZMBJCEJ-UHFFFAOYSA-N |
| XLogP | 42.91 |
| TPSA | 611.62 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 260 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3427.98 |
| LogP ≤ 5 | 42.91 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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