C128H157Cl3F6N18O9S4 — CID 159387838
N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide (PubChem CID 159387838) has the molecular formula C128H157Cl3F6N18O9S4 and a molecular weight of 2440.40 g/mol. Its IUPAC name is N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide.
| Compound Name | N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide |
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| PubChem CID | 159387838 |
| Molecular Formula | C128H157Cl3F6N18O9S4 |
| Molecular Weight | 2440.40 g/mol |
| Exact Mass | 2437.02 |
| IUPAC Name | N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide |
| SMILES | CCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1sccc1Cl.CCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1sccc1Cl.CCCn1c(CN(CC(C)C)C(=O)c2cc(C)c(C)o2)nc2cc(F)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2sccc2Cl)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cc(C)c(C)o2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cscc2OC)nc2cc(F)ccc21 |
| InChI | InChI=1S/C23H30FN3O2.C22H28FN3O2S.C22H28FN3O2.C21H25ClFN3OS.2C20H23ClFN3OS/c1-6-10-27-20-8-7-18(24)13-19(20)25-22(27)14-26(11-9-15(2)3)23(28)21-12-16(4)17(5)29-21;1-5-9-26-19-7-6-16(23)11-18(19)24-21(26)12-25(10-8-15(2)3)22(27)17-13-29-14-20(17)28-4;1-6-9-26-19-8-7-17(23)11-18(19)24-21(26)13-25(12-14(2)3)22(27)20-10-15(4)16(5)28-20;1-3-5-6-11-25(21(27)20-16(22)9-12-28-20)14-19-24-17-13-15(23)7-8-18(17)26(19)10-4-2;1-4-8-25-17-6-5-14(22)10-16(17)23-18(25)12-24(11-13(2)3)20(26)19-15(21)7-9-27-19;1-3-5-10-24(20(26)19-15(21)8-11-27-19)13-18-23-16-12-14(22)6-7-17(16)25(18)9-4-2/h7-8,12-13,15H,6,9-11,14H2,1-5H3;6-7,11,13-15H,5,8-10,12H2,1-4H3;7-8,10-11,14H,6,9,12-13H2,1-5H3;7-9,12-13H,3-6,10-11,14H2,1-2H3;5-7,9-10,13H,4,8,11-12H2,1-3H3;6-8,11-12H,3-5,9-10,13H2,1-2H3 |
| InChIKey | LLSOIVDMZSVEQM-UHFFFAOYSA-N |
| XLogP | 33.40 |
| TPSA | 264.29 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2440.40 |
| LogP ≤ 5 | 33.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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