C97H85Cl8N15O8 — CID 158517920
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane (PubChem CID 158517920) has the molecular formula C97H85Cl8N15O8 and a molecular weight of 1872.47 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane.
| Compound Name | 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane |
|---|---|
| PubChem CID | 158517920 |
| Molecular Formula | C97H85Cl8N15O8 |
| Molecular Weight | 1872.47 g/mol |
| Exact Mass | 1867.42 |
| IUPAC Name | 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane |
| SMILES | C.O=C(Cc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCN2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 |
| InChI | InChI=1S/C26H24Cl2N4O2.C25H22Cl2N4O2.C23H18Cl2N4O2.C22H17Cl2N3O2.CH4/c27-20-9-8-19(22(15-20)26(34)31-24-11-10-21(28)16-30-24)14-23(33)17-4-6-18(7-5-17)25(29)32-12-2-1-3-13-32;26-19-8-7-18(21(14-19)25(33)30-23-10-9-20(27)15-29-23)13-22(32)16-3-5-17(6-4-16)24(28)31-11-1-2-12-31;24-17-6-5-16(19(12-17)23(31)29-21-8-7-18(25)13-28-21)11-20(30)14-1-3-15(4-2-14)22-26-9-10-27-22;1-13(25)14-2-4-15(5-3-14)20(28)10-16-6-7-17(23)11-19(16)22(29)27-21-9-8-18(24)12-26-21;/h4-11,15-16,29H,1-3,12-14H2,(H,30,31,34);3-10,14-15,28H,1-2,11-13H2,(H,29,30,33);1-8,12-13H,9-11H2,(H,26,27)(H,28,29,31);2-9,11-12,25H,10H2,1H3,(H,26,27,29);1H4/b29-25-;28-24-;;25-13+; |
| InChIKey | HLVWXIGWVZWGEF-AXGSIMAMSA-N |
| XLogP | 21.87 |
| TPSA | 338.66 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 128 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1872.47 |
| LogP ≤ 5 | 21.87 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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