C122H133N25O11 — CID 162005738
1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one (PubChem CID 162005738) has the molecular formula C122H133N25O11 and a molecular weight of 2125.57 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one.
| Compound Name | 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one |
|---|---|
| PubChem CID | 162005738 |
| Molecular Formula | C122H133N25O11 |
| Molecular Weight | 2125.57 g/mol |
| Exact Mass | 2124.06 |
| IUPAC Name | 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one |
| SMILES | CCC1=CC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(N2CCOCC2)cc1.CN(C)C1=CC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(N2CCOCC2)cc1.O=C1C=C(N2CCCCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1C=C(N2CCNCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1C=C(N2CCOCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1 |
| InChI | InChI=1S/C26H29N5O2.C25H28N6O2.C25H27N5O3.C23H25N5O2.C23H24N4O2/c32-25-17-24(30-10-2-1-3-11-30)26(31(25)21-8-9-22-23(16-21)28-18-27-22)19-4-6-20(7-5-19)29-12-14-33-15-13-29;32-24-16-23(30-9-7-26-8-10-30)25(31(24)20-5-6-21-22(15-20)28-17-27-21)18-1-3-19(4-2-18)29-11-13-33-14-12-29;31-24-16-23(29-9-13-33-14-10-29)25(30(24)20-5-6-21-22(15-20)27-17-26-21)18-1-3-19(4-2-18)28-7-11-32-12-8-28;1-26(2)21-14-22(29)28(18-7-8-19-20(13-18)25-15-24-19)23(21)16-3-5-17(6-4-16)27-9-11-30-12-10-27;1-2-16-13-22(28)27(19-7-8-20-21(14-19)25-15-24-20)23(16)17-3-5-18(6-4-17)26-9-11-29-12-10-26/h4-9,16-18,26H,1-3,10-15H2,(H,27,28);1-6,15-17,25-26H,7-14H2,(H,27,28);1-6,15-17,25H,7-14H2,(H,26,27);3-8,13-15,23H,9-12H2,1-2H3,(H,24,25);3-8,13-15,23H,2,9-12H2,1H3,(H,24,25) |
| InChIKey | YSUQEJYODWJTOL-UHFFFAOYSA-N |
| XLogP | 15.59 |
| TPSA | 341.52 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2125.57 |
| LogP ≤ 5 | 15.59 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'} |
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