C267H297Cl5F3N47O26 — CID 157122187
N-[1-(2-amino-2-oxoethyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-chloro-4-fluorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3,5-dichlorobenzamide;1-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-1-N-methylbenzene-1,4-dicarboxamide;N-[1-(3-amino-3-oxopropyl)-5-[(4,4-difluorocyclohexanecarbonyl)-methylamino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-methylcyclohexanecarboxamide;N-[2-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2-phenylethyl)benzimidazol-5-yl]-N-methylcyclohexanecarboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-propan-2-ylbenzimidazol-2-yl]benzamide;N-methyl-N-[2-methyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide (PubChem CID 157122187) has the molecular formula C267H297Cl5F3N47O26 and a molecular weight of 4814.88 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-chloro-4-fluorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3,5-dichlorobenzamide;1-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-1-N-methylbenzene-1,4-dicarboxamide;N-[1-(3-amino-3-oxopropyl)-5-[(4,4-difluorocyclohexanecarbonyl)-methylamino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-methylcyclohexanecarboxamide;N-[2-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2-phenylethyl)benzimidazol-5-yl]-N-methylcyclohexanecarboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-propan-2-ylbenzimidazol-2-yl]benzamide;N-methyl-N-[2-methyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide.
| Compound Name | N-[1-(2-amino-2-oxoethyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-chloro-4-fluorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3,5-dichlorobenzamide;1-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-1-N-methylbenzene-1,4-dicarboxamide;N-[1-(3-amino-3-oxopropyl)-5-[(4,4-difluorocyclohexanecarbonyl)-methylamino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-methylcyclohexanecarboxamide;N-[2-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2-phenylethyl)benzimidazol-5-yl]-N-methylcyclohexanecarboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-propan-2-ylbenzimidazol-2-yl]benzamide;N-methyl-N-[2-methyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide |
|---|---|
| PubChem CID | 157122187 |
| Molecular Formula | C267H297Cl5F3N47O26 |
| Molecular Weight | 4814.88 g/mol |
| Exact Mass | 4809.18 |
| IUPAC Name | N-[1-(2-amino-2-oxoethyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-chloro-4-fluorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3,5-dichlorobenzamide;1-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-1-N-methylbenzene-1,4-dicarboxamide;N-[1-(3-amino-3-oxopropyl)-5-[(4,4-difluorocyclohexanecarbonyl)-methylamino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-methylcyclohexanecarboxamide;N-[2-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2-phenylethyl)benzimidazol-5-yl]-N-methylcyclohexanecarboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-propan-2-ylbenzimidazol-2-yl]benzamide;N-methyl-N-[2-methyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide |
| SMILES | CC(C)n1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21.CN(C(=O)C1CCC(F)(F)CC1)c1ccc2c(c1)nc(NC(=O)c1ccc(Cl)cc1)n2CCC(N)=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(CC(=O)c1ccc(Cl)cc1)n2CCc1ccccc1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(CCc1ccccc1)n2CCc1ccccc1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cc(Cl)cc(Cl)c1)n2CCC(N)=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CC(N)=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(F)c(Cl)c1)n2CCC(N)=O.CN(C)C(=O)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)cc1.CNC(=O)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)cc1.Cc1nc2cc(N(C)C(=O)C3CCCCC3)ccc2n1CCc1ccccc1 |
| InChI | InChI=1S/C31H32ClN3O2.C31H35N3O.C28H34N6O4.C27H32N6O4.C26H29N5O2.C25H27Cl2N5O3.C25H26ClF2N5O3.C25H27ClFN5O3.C25H26N6O3.C24H29N3O/c1-34(31(37)24-10-6-3-7-11-24)26-16-17-28-27(20-26)33-30(21-29(36)23-12-14-25(32)15-13-23)35(28)19-18-22-8-4-2-5-9-22;1-33(31(35)26-15-9-4-10-16-26)27-18-19-29-28(23-27)32-30(20-17-24-11-5-2-6-12-24)34(29)22-21-25-13-7-3-8-14-25;1-32(2)26(37)20-11-9-18(10-12-20)25(36)31-28-30-22-17-21(13-14-23(22)34(28)16-15-24(29)35)33(3)27(38)19-7-5-4-6-8-19;1-29-24(35)17-8-10-18(11-9-17)25(36)31-27-30-21-16-20(12-13-22(21)33(27)15-14-23(28)34)32(2)26(37)19-6-4-3-5-7-19;1-17(2)31-23-14-13-21(30(3)25(33)20-7-5-4-6-8-20)15-22(23)28-26(31)29-24(32)19-11-9-18(16-27)10-12-19;1-31(24(35)15-5-3-2-4-6-15)19-7-8-21-20(14-19)29-25(32(21)10-9-22(28)33)30-23(34)16-11-17(26)13-18(27)12-16;1-32(23(36)16-8-11-25(27,28)12-9-16)18-6-7-20-19(14-18)30-24(33(20)13-10-21(29)34)31-22(35)15-2-4-17(26)5-3-15;1-31(24(35)15-5-3-2-4-6-15)17-8-10-21-20(14-17)29-25(32(21)12-11-22(28)33)30-23(34)16-7-9-19(27)18(26)13-16;1-30(24(34)18-5-3-2-4-6-18)19-11-12-21-20(13-19)28-25(31(21)15-22(27)32)29-23(33)17-9-7-16(14-26)8-10-17;1-18-25-22-17-21(26(2)24(28)20-11-7-4-8-12-20)13-14-23(22)27(18)16-15-19-9-5-3-6-10-19/h2,4-5,8-9,12-17,20,24H,3,6-7,10-11,18-19,21H2,1H3;2-3,5-8,11-14,18-19,23,26H,4,9-10,15-17,20-22H2,1H3;9-14,17,19H,4-8,15-16H2,1-3H3,(H2,29,35)(H,30,31,36);8-13,16,19H,3-7,14-15H2,1-2H3,(H2,28,34)(H,29,35)(H,30,31,36);9-15,17,20H,4-8H2,1-3H3,(H,28,29,32);7-8,11-15H,2-6,9-10H2,1H3,(H2,28,33)(H,29,30,34);2-7,14,16H,8-13H2,1H3,(H2,29,34)(H,30,31,35);7-10,13-15H,2-6,11-12H2,1H3,(H2,28,33)(H,29,30,34);7-13,18H,2-6,15H2,1H3,(H2,27,32)(H,28,29,33);3,5-6,9-10,13-14,17,20H,4,7-8,11-12,15-16H2,1-2H3 |
| InChIKey | AICFRBWBVUKJTQ-UHFFFAOYSA-N |
| XLogP | 47.71 |
| TPSA | 957.60 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 69 |
| Heavy Atoms | 348 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4814.88 |
| LogP ≤ 5 | 47.71 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 48 |