C93H98F4N16O18S — CID 161387990
3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (PubChem CID 161387990) has the molecular formula C93H98F4N16O18S and a molecular weight of 1835.96 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.
| Compound Name | 3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide |
|---|---|
| PubChem CID | 161387990 |
| Molecular Formula | C93H98F4N16O18S |
| Molecular Weight | 1835.96 g/mol |
| Exact Mass | 1834.69 |
| IUPAC Name | 3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide |
| SMILES | CS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2C2CCC(O)CC2)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccccc1 |
| InChI | InChI=1S/C25H26F2N4O4.C25H28N4O6S.C22H22F2N4O4.C21H22N4O4/c26-23(27)15-2-1-3-16(12-15)24(34)29-25-28-20-13-18(30-10-11-35-14-22(30)33)6-9-21(20)31(25)17-4-7-19(32)8-5-17;1-36(33,34)20-4-2-3-16(13-20)24(32)27-25-26-21-14-18(28-11-12-35-15-23(28)31)7-10-22(21)29(25)17-5-8-19(30)9-6-17;23-19(24)14-4-1-5-15(12-14)20(30)26-21-25-17-13-16(27-9-3-11-32-22(27)31)6-7-18(17)28(21)8-2-10-29;26-11-4-9-25-18-8-7-16(24-10-12-29-14-19(24)27)13-17(18)22-21(25)23-20(28)15-5-2-1-3-6-15/h1-3,6,9,12-13,17,19,23,32H,4-5,7-8,10-11,14H2,(H,28,29,34);2-4,7,10,13-14,17,19,30H,5-6,8-9,11-12,15H2,1H3,(H,26,27,32);1,4-7,12-13,19,29H,2-3,8-11H2,(H,25,26,30);1-3,5-8,13,26H,4,9-12,14H2,(H,22,23,28) |
| InChIKey | VSPKYUOQSYVBIY-UHFFFAOYSA-N |
| XLogP | 12.59 |
| TPSA | 420.90 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 132 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1835.96 |
| LogP ≤ 5 | 12.59 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 26 |