C137H101Cl5F6N22O14S2 — CID 160705111
N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide;3,4-dichloro-N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]benzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 160705111) has the molecular formula C137H101Cl5F6N22O14S2 and a molecular weight of 2634.84 g/mol. Its IUPAC name is N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide;3,4-dichloro-N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]benzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
| Compound Name | N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide;3,4-dichloro-N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]benzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide |
|---|---|
| PubChem CID | 160705111 |
| Molecular Formula | C137H101Cl5F6N22O14S2 |
| Molecular Weight | 2634.84 g/mol |
| Exact Mass | 2630.57 |
| IUPAC Name | N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide;3,4-dichloro-N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]benzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide |
| SMILES | CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(S(C)(=O)=O)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3[nH]2)cc1)c1cccnc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3[nH]2)cc1)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)[nH]c2c1)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C29H18F6N4O2.C29H24N4O6S2.C27H24Cl2N4O2.C26H17Cl2N5O2.C26H18ClN5O2/c30-28(31,32)19-5-1-3-17(13-19)26(40)36-21-9-7-16(8-10-21)25-38-23-12-11-22(15-24(23)39-25)37-27(41)18-4-2-6-20(14-18)29(33,34)35;1-40(36,37)23-12-5-19(6-13-23)28(34)30-21-9-3-18(4-10-21)27-32-25-16-11-22(17-26(25)33-27)31-29(35)20-7-14-24(15-8-20)41(2,38)39;28-21-12-8-18(14-22(21)29)27(35)31-20-11-13-23-24(15-20)33-25(32-23)16-6-9-19(10-7-16)30-26(34)17-4-2-1-3-5-17;27-18-10-17(11-19(28)12-18)26(35)31-21-7-8-22-23(13-21)33-24(32-22)15-3-5-20(6-4-15)30-25(34)16-2-1-9-29-14-16;27-19-7-3-17(4-8-19)25(33)30-21-11-12-22-23(14-21)32-24(31-22)16-5-9-20(10-6-16)29-26(34)18-2-1-13-28-15-18/h1-15H,(H,36,40)(H,37,41)(H,38,39);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);6-15,17H,1-5H2,(H,30,34)(H,31,35)(H,32,33);1-14H,(H,30,34)(H,31,35)(H,32,33);1-15H,(H,29,34)(H,30,33)(H,31,32) |
| InChIKey | RRCVWXHBONOALW-UHFFFAOYSA-N |
| XLogP | 31.84 |
| TPSA | 528.46 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 186 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2634.84 |
| LogP ≤ 5 | 31.84 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 21 |