C89H90F7N17O17S — CID 159533811
3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide (PubChem CID 159533811) has the molecular formula C89H90F7N17O17S and a molecular weight of 1834.85 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide.
| Compound Name | 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159533811 |
| Molecular Formula | C89H90F7N17O17S |
| Molecular Weight | 1834.85 g/mol |
| Exact Mass | 1833.63 |
| IUPAC Name | 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide |
| SMILES | Cc1ccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)cc1C(F)(F)F.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCS(=O)(=O)CC1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccnc1 |
| InChI | InChI=1S/C24H24F2N4O5S.C23H23F3N4O4.C22H22F2N4O4.C20H21N5O4/c25-22(26)15-2-1-3-16(12-15)23(32)28-24-27-19-13-18(29-8-9-35-14-21(29)31)4-5-20(19)30(24)17-6-10-36(33,34)11-7-17;1-14-3-4-15(11-17(14)23(24,25)26)21(33)28-22-27-18-12-16(29-8-10-34-13-20(29)32)5-6-19(18)30(22)7-2-9-31;23-20(24)14-3-1-4-15(11-14)21(31)26-22-25-17-12-16(27-8-10-32-13-19(27)30)5-6-18(17)28(22)7-2-9-29;26-9-2-7-25-17-5-4-15(24-8-10-29-13-18(24)27)11-16(17)22-20(25)23-19(28)14-3-1-6-21-12-14/h1-5,12-13,17,22H,6-11,14H2,(H,27,28,32);3-6,11-12,31H,2,7-10,13H2,1H3,(H,27,28,33);1,3-6,11-12,20,29H,2,7-10,13H2,(H,25,26,31);1,3-6,11-12,26H,2,7-10,13H2,(H,22,23,28) |
| InChIKey | MDIKBIGADLCWRQ-UHFFFAOYSA-N |
| XLogP | 11.10 |
| TPSA | 413.56 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 131 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1834.85 |
| LogP ≤ 5 | 11.10 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 26 |