C142H171F11N18O7 — CID 158219251
3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-(3-methylbutyl)benzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-pentylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 158219251) has the molecular formula C142H171F11N18O7 and a molecular weight of 2451.03 g/mol. Its IUPAC name is 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-(3-methylbutyl)benzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-pentylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide.
| Compound Name | 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-(3-methylbutyl)benzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-pentylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide |
|---|---|
| PubChem CID | 158219251 |
| Molecular Formula | C142H171F11N18O7 |
| Molecular Weight | 2451.03 g/mol |
| Exact Mass | 2449.34 |
| IUPAC Name | 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-(3-methylbutyl)benzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)benzamide;5-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methyl-N-pentylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide |
| SMILES | CCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(F)ccc1C.CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2C)nc2cc(F)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(F)c2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cc(F)ccc2C)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(F)c2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OC)c2)nc2cc(F)ccc21 |
| InChI | InChI=1S/3C24H29F2N3O.C24H30FN3O2.2C23H27F2N3O/c1-5-11-29-22-9-8-19(26)14-21(22)27-23(29)15-28(12-10-16(2)3)24(30)20-13-18(25)7-6-17(20)4;1-5-11-29-22-9-8-19(25)14-21(22)27-23(29)15-28(12-10-16(2)3)24(30)18-7-6-17(4)20(26)13-18;1-4-6-7-13-28(24(30)20-14-18(25)9-8-17(20)3)16-23-27-21-15-19(26)10-11-22(21)29(23)12-5-2;1-5-12-28-22-10-9-19(25)15-21(22)26-23(28)16-27(13-11-17(2)3)24(29)18-7-6-8-20(14-18)30-4;1-5-10-28-21-9-8-18(25)12-20(21)26-22(28)14-27(13-15(2)3)23(29)19-11-17(24)7-6-16(19)4;1-5-10-28-21-9-8-18(24)12-20(21)26-22(28)14-27(13-15(2)3)23(29)17-7-6-16(4)19(25)11-17/h2*6-9,13-14,16H,5,10-12,15H2,1-4H3;8-11,14-15H,4-7,12-13,16H2,1-3H3;6-10,14-15,17H,5,11-13,16H2,1-4H3;2*6-9,11-12,15H,5,10,13-14H2,1-4H3 |
| InChIKey | GDARISYIBCLCDX-UHFFFAOYSA-N |
| XLogP | 33.25 |
| TPSA | 238.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2451.03 |
| LogP ≤ 5 | 33.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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