C127H156F6N18O7S5 — CID 158742373
N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide (PubChem CID 158742373) has the molecular formula C127H156F6N18O7S5 and a molecular weight of 2321.09 g/mol. Its IUPAC name is N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide.
| Compound Name | N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide |
|---|---|
| PubChem CID | 158742373 |
| Molecular Formula | C127H156F6N18O7S5 |
| Molecular Weight | 2321.09 g/mol |
| Exact Mass | 2319.09 |
| IUPAC Name | N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide |
| SMILES | CCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1ccsc1.CCCn1c(CN(CC(C)C)C(=O)c2cccs2)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccs2)nc2ccc(F)cc21 |
| InChI | InChI=1S/C25H32FN3O2.2C21H26FN3OS.3C20H24FN3OS/c1-5-12-29-23-10-9-20(26)16-22(23)27-24(29)17-28(13-11-18(2)3)25(30)15-19-7-6-8-21(14-19)31-4;1-4-10-25-18-13-16(22)7-8-17(18)23-20(25)14-24(11-9-15(2)3)21(26)19-6-5-12-27-19;1-3-5-6-12-24(21(26)19-8-7-13-27-19)15-20-23-17-10-9-16(22)14-18(17)25(20)11-4-2;1-4-9-24-17-11-15(21)7-8-16(17)22-19(24)13-23(12-14(2)3)20(25)18-6-5-10-26-18;1-3-5-11-23(20(25)18-7-6-12-26-18)14-19-22-16-9-8-15(21)13-17(16)24(19)10-4-2;1-3-5-10-23(20(25)15-8-11-26-14-15)13-19-22-17-7-6-16(21)12-18(17)24(19)9-4-2/h6-10,14,16,18H,5,11-13,15,17H2,1-4H3;5-8,12-13,15H,4,9-11,14H2,1-3H3;7-10,13-14H,3-6,11-12,15H2,1-2H3;5-8,10-11,14H,4,9,12-13H2,1-3H3;6-9,12-13H,3-5,10-11,14H2,1-2H3;6-8,11-12,14H,3-5,9-10,13H2,1-2H3 |
| InChIKey | IMLNJFTYYMLZID-UHFFFAOYSA-N |
| XLogP | 31.15 |
| TPSA | 238.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2321.09 |
| LogP ≤ 5 | 31.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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