C155H199FIN21O7S5 — CID 158328653
2-(3-fluorophenyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]acetamide;3-iodo-4-methyl-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;5-methyl-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;5-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;5-methyl-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 158328653) has the molecular formula C155H199FIN21O7S5 and a molecular weight of 2774.67 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]acetamide;3-iodo-4-methyl-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;5-methyl-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;5-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;5-methyl-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide.
| Compound Name | 2-(3-fluorophenyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]acetamide;3-iodo-4-methyl-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;5-methyl-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;5-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;5-methyl-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide |
|---|---|
| PubChem CID | 158328653 |
| Molecular Formula | C155H199FIN21O7S5 |
| Molecular Weight | 2774.67 g/mol |
| Exact Mass | 2772.35 |
| IUPAC Name | 2-(3-fluorophenyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]acetamide;3-iodo-4-methyl-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;5-methyl-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;5-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;5-methyl-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide |
| SMILES | CCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1ccc(C)s1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)s2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(F)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(I)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)s2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccs2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccsc2)nc2ccccc21 |
| InChI | InChI=1S/C24H30FN3O.C24H30IN3O.2C22H29N3OS.3C21H27N3OS/c1-4-13-28-22-11-6-5-10-21(22)26-23(28)17-27(14-12-18(2)3)24(29)16-19-8-7-9-20(25)15-19;1-5-13-28-22-9-7-6-8-21(22)26-23(28)16-27(14-12-17(2)3)24(29)19-11-10-18(4)20(25)15-19;1-5-13-25-19-9-7-6-8-18(19)23-21(25)15-24(14-12-16(2)3)22(26)20-11-10-17(4)27-20;1-4-6-9-15-24(22(26)20-13-12-17(3)27-20)16-21-23-18-10-7-8-11-19(18)25(21)14-5-2;1-5-12-24-18-9-7-6-8-17(18)22-20(24)14-23(13-15(2)3)21(25)19-11-10-16(4)26-19;1-4-12-24-18-9-6-5-8-17(18)22-20(24)15-23(13-11-16(2)3)21(25)19-10-7-14-26-19;1-4-11-24-19-8-6-5-7-18(19)22-20(24)14-23(12-9-16(2)3)21(25)17-10-13-26-15-17/h5-11,15,18H,4,12-14,16-17H2,1-3H3;6-11,15,17H,5,12-14,16H2,1-4H3;6-11,16H,5,12-15H2,1-4H3;7-8,10-13H,4-6,9,14-16H2,1-3H3;6-11,15H,5,12-14H2,1-4H3;5-10,14,16H,4,11-13,15H2,1-3H3;5-8,10,13,15-16H,4,9,11-12,14H2,1-3H3 |
| InChIKey | GPSOPKJEUIWMIY-UHFFFAOYSA-N |
| XLogP | 37.91 |
| TPSA | 266.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 190 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2774.67 |
| LogP ≤ 5 | 37.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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