C327H368F6N46O24S2 — CID 161166130
4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide (PubChem CID 161166130) has the molecular formula C327H368F6N46O24S2 and a molecular weight of 5504.96 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide.
| Compound Name | 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide |
|---|---|
| PubChem CID | 161166130 |
| Molecular Formula | C327H368F6N46O24S2 |
| Molecular Weight | 5504.96 g/mol |
| Exact Mass | 5500.83 |
| IUPAC Name | 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide |
| SMILES | CC(C)(C)C1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(C(C)(C)C)CC5)cc4[nH]3)cc2)CC1.CC(C)(C)CC(=O)Nc1ccc(-c2nc3ccc(NC(=O)CC(C)(C)C)cc3[nH]2)cc1.CCCCCC1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(CCCCC)CC5)cc4[nH]3)cc2)CC1.O=C(Cc1cccs1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4cccs4)cc3[nH]2)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CCCCC4)cc3[nH]2)cc1)C1(c2ccccc2)CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCC4)cc3[nH]2)cc1)C1CCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCC4C(=O)C(F)(F)F)cc3[nH]2)cc1)C1CCCC1C(=O)C(F)(F)F.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1)C1CCCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4)cc3[nH]2)cc1)C1CCCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3[nH]2)cc1)[C@H]1C[C@@H]1c1ccccc1 |
| InChI | InChI=1S/C39H40N4O2.C37H52N4O2.C35H48N4O2.C33H28N4O2.C29H26F6N4O4.C29H36N4O2.C27H32N4O2.C25H20N4O2S2.C25H28N4O2.C25H32N4O2.C23H26N6O2/c44-36(38(23-9-3-10-24-38)29-13-5-1-6-14-29)40-31-19-17-28(18-20-31)35-42-33-22-21-32(27-34(33)43-35)41-37(45)39(25-11-4-12-26-39)30-15-7-2-8-16-30;1-3-5-7-9-26-11-15-29(16-12-26)36(42)38-31-21-19-28(20-22-31)35-40-33-24-23-32(25-34(33)41-35)39-37(43)30-17-13-27(14-18-30)10-8-6-4-2;1-34(2,3)25-13-7-23(8-14-25)32(40)36-27-17-11-22(12-18-27)31-38-29-20-19-28(21-30(29)39-31)37-33(41)24-9-15-26(16-10-24)35(4,5)6;38-32(27-18-25(27)20-7-3-1-4-8-20)34-23-13-11-22(12-14-23)31-36-29-16-15-24(17-30(29)37-31)35-33(39)28-19-26(28)21-9-5-2-6-10-21;30-28(31,32)23(40)17-3-1-5-19(17)26(42)36-15-9-7-14(8-10-15)25-38-21-12-11-16(13-22(21)39-25)37-27(43)20-6-2-4-18(20)24(41)29(33,34)35;34-28(21-9-5-1-2-6-10-21)30-23-15-13-20(14-16-23)27-32-25-18-17-24(19-26(25)33-27)31-29(35)22-11-7-3-4-8-12-22;32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20;30-23(14-19-3-1-11-32-19)26-17-7-5-16(6-8-17)25-28-21-10-9-18(13-22(21)29-25)27-24(31)15-20-4-2-12-33-20;30-24(17-5-1-2-6-17)26-19-11-9-16(10-12-19)23-28-21-14-13-20(15-22(21)29-23)27-25(31)18-7-3-4-8-18;1-24(2,3)14-21(30)26-17-9-7-16(8-10-17)23-28-19-12-11-18(13-20(19)29-23)27-22(31)15-25(4,5)6;30-22(18-3-1-11-24-18)26-15-7-5-14(6-8-15)21-28-17-10-9-16(13-20(17)29-21)27-23(31)19-4-2-12-25-19/h1-2,5-8,13-22,27H,3-4,9-12,23-26H2,(H,40,44)(H,41,45)(H,42,43);19-27,29-30H,3-18H2,1-2H3,(H,38,42)(H,39,43)(H,40,41);11-12,17-21,23-26H,7-10,13-16H2,1-6H3,(H,36,40)(H,37,41)(H,38,39);1-17,25-28H,18-19H2,(H,34,38)(H,35,39)(H,36,37);7-13,17-20H,1-6H2,(H,36,42)(H,37,43)(H,38,39);13-19,21-22H,1-12H2,(H,30,34)(H,31,35)(H,32,33);11-17,19-20H,1-10H2,(H,28,32)(H,29,33)(H,30,31);1-13H,14-15H2,(H,26,30)(H,27,31)(H,28,29);9-15,17-18H,1-8H2,(H,26,30)(H,27,31)(H,28,29);7-13H,14-15H2,1-6H3,(H,26,30)(H,27,31)(H,28,29);5-10,13,18-19,24-25H,1-4,11-12H2,(H,26,30)(H,27,31)(H,28,29)/t;;;25-,26+,27+,28-;;;;;;;/m...1......./s1 |
| InChIKey | UQOFWKFFUWUJBH-ZHMIBMSBSA-N |
| XLogP | 73.63 |
| TPSA | 1013.88 Ų |
| H-Bond Donors | 35 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 71 |
| Heavy Atoms | 405 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5504.96 |
| LogP ≤ 5 | 73.63 |
| H-Bond Donors ≤ 5 | 35 |
| H-Bond Acceptors ≤ 10 | 39 |