C86H87F8N19O15 — CID 158021632
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide (PubChem CID 158021632) has the molecular formula C86H87F8N19O15 and a molecular weight of 1778.74 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide.
| Compound Name | 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 158021632 |
| Molecular Formula | C86H87F8N19O15 |
| Molecular Weight | 1778.74 g/mol |
| Exact Mass | 1777.65 |
| IUPAC Name | 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide |
| SMILES | Cc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.Cc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.O=C(Nc1nc2cc(N3CCNC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cnccn1 |
| InChI | InChI=1S/C23H23F3N4O4.C23H24F2N4O4.C21H20F3N5O3.C19H20N6O4/c1-14-10-19-17(12-18(14)29-7-9-34-13-20(29)32)27-22(30(19)6-3-8-31)28-21(33)15-4-2-5-16(11-15)23(24,25)26;1-14-10-19-17(12-18(14)28-7-9-33-13-20(28)31)26-23(29(19)6-3-8-30)27-22(32)16-5-2-4-15(11-16)21(24)25;22-21(23,24)14-4-1-3-13(11-14)18(31)27-19-26-16-12-15(28-9-7-25-20(28)32)5-6-17(16)29(19)8-2-10-30;26-8-1-6-25-16-3-2-13(24-7-9-29-12-17(24)27)10-14(16)22-19(25)23-18(28)15-11-20-4-5-21-15/h2,4-5,10-12,31H,3,6-9,13H2,1H3,(H,27,28,33);2,4-5,10-12,21,30H,3,6-9,13H2,1H3,(H,26,27,32);1,3-6,11-12,30H,2,7-10H2,(H,25,32)(H,26,27,31);2-5,10-11,26H,1,6-9,12H2,(H,22,23,28) |
| InChIKey | FGDARAWNNYYBMB-UHFFFAOYSA-N |
| XLogP | 10.69 |
| TPSA | 415.34 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 128 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1778.74 |
| LogP ≤ 5 | 10.69 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |