About [2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide
[2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide (PubChem CID 157125871) has the molecular formula C186H233F11N26O17
and a molecular weight of 3314.05 g/mol. Its IUPAC name is [2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide.
Frequently Asked Questions
What is the IUPAC name of [2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide?
The IUPAC name of [2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide (CID 157125871) is [2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for [2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide?
The canonical SMILES for [2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide is C=C(N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C(C)(CO)OCCF)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C)C(C)(CO)OCCF.CC1(C)CCN(C(=O)C2CCC(F)(F)CC2)C1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5N(C(=O)C6CCC(F)(F)CC6)CCC5(C)C)[nH]4)cc3)cc2)[nH]1.CC1(F)CCN(C(=O)C(=O)N2CCC(C)(C)C2c2ncc(-c3ccc(-c4ccc(-c5cnc(C6N(C(=O)C(=O)N7CCC(F)(F)CC7)CCC6(C)C)[nH]5)cc4)cc3)[nH]2)CC1.Cc1ccc(-c2cnc([C@@H](NC(=O)C(C)(COCc3ccccc3)OCCF)C(C)(C)C)[nH]2)cc1.Cc1ccc(-c2cnc([C@@H](NC(=O)C(C)(COCc3ccccc3)OCCF)C(C)(C)C)[nH]2)cc1.
What is the InChIKey of [2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide?
The InChIKey is AIMPOCZPLXOMMK-SBXCKDPRSA-N. The full InChI is InChI=1S/C45H53F3N8O4.C44H52F4N6O2.C41H56F2N6O5.2C28H36FN3O3/c1-42(2)14-24-55(40(59)38(57)53-20-16-44(5,46)17-21-53)34(42)36-49-26-32(51-36)30-10-6-28(7-11-30)29-8-12-31(13-9-29)33-27-50-37(52-33)35-43(3,4)15-25-56(35)41(60)39(58)54-22-18-45(47,48)19-23-54;1-41(2)21-23-53(39(55)31-13-17-43(45,46)18-14-31)35(41)37-49-25-33(51-37)29-9-5-27(6-10-29)28-7-11-30(12-8-28)34-26-50-38(52-34)36-42(3,4)22-24-54(36)40(56)32-15-19-44(47,48)20-16-32;1-26(40(8,24-50)53-20-18-42)46-33(38(2,3)4)35-44-22-31(47-35)29-14-10-27(11-15-29)28-12-16-30(17-13-28)32-23-45-36(48-32)34(39(5,6)7)49-37(52)41(9,25-51)54-21-19-43;2*1-20-11-13-22(14-12-20)23-17-30-25(31-23)24(27(2,3)4)32-26(33)28(5,35-16-15-29)19-34-18-21-9-7-6-8-10-21/h6-13,26-27,34-35H,14-25H2,1-5H3,(H,49,51)(H,50,52);5-12,25-26,31-32,35-36H,13-24H2,1-4H3,(H,49,51)(H,50,52);10-17,22-23,33-34,46,50-51H,1,18-21,24-25H2,2-9H3,(H,44,47)(H,45,48)(H,49,52);2*6-14,17,24H,15-16,18-19H2,1-5H3,(H,30,31)(H,32,33)/t;;33-,34-,40?,41?;2*24-,28?/m..111/s1.
What are the key properties of [2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide?
[2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide has a molecular weight of 3314.05 g/mol, XLogP of 35.83, 52 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 157125871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).