C102H111F12N15O13 — CID 157317973
N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[7-hydroxy-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 157317973) has the molecular formula C102H111F12N15O13 and a molecular weight of 1983.08 g/mol. Its IUPAC name is N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[7-hydroxy-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
| Compound Name | N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[7-hydroxy-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 157317973 |
| Molecular Formula | C102H111F12N15O13 |
| Molecular Weight | 1983.08 g/mol |
| Exact Mass | 1981.83 |
| IUPAC Name | N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[7-hydroxy-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide |
| SMILES | O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(OCCN3CCCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(OCCN3CCOCC3)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cccc(O)c2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C27H29F3N4O4.C27H31F3N4O4.C27H31F3N4O2.C21H20F3N3O3/c28-27(29,30)18-4-1-3-17(15-18)25(37)32-26-31-22-16-21(38-14-13-33-12-2-5-24(33)36)10-11-23(22)34(26)19-6-8-20(35)9-7-19;28-27(29,30)19-3-1-2-18(16-19)25(36)32-26-31-23-17-22(38-15-12-33-10-13-37-14-11-33)8-9-24(23)34(26)20-4-6-21(35)7-5-20;28-27(29,30)20-6-4-5-19(16-20)25(36)32-26-31-23-15-18(17-33-13-2-1-3-14-33)7-12-24(23)34(26)21-8-10-22(35)11-9-21;22-21(23,24)13-4-1-3-12(11-13)19(30)26-20-25-16-5-2-6-17(29)18(16)27(20)14-7-9-15(28)10-8-14/h1,3-4,10-11,15-16,19-20,35H,2,5-9,12-14H2,(H,31,32,37);1-3,8-9,16-17,20-21,35H,4-7,10-15H2,(H,31,32,36);4-7,12,15-16,21-22,35H,1-3,8-11,13-14,17H2,(H,31,32,36);1-6,11,14-15,28-29H,7-10H2,(H,25,26,30) |
| InChIKey | BDVFSWCYTWTCNX-UHFFFAOYSA-N |
| XLogP | 19.54 |
| TPSA | 343.31 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1983.08 |
| LogP ≤ 5 | 19.54 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 23 |