About dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride
dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride (PubChem CID 161340166) has the molecular formula C108H150BrCl5F6K2N14O22S4
and a molecular weight of 2574.08 g/mol. Its IUPAC name is dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride?
The IUPAC name of dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride (CID 161340166) is dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride.
What is the SMILES notation for dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride?
The canonical SMILES for dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride is C.CC1(C)NC(C23CC(N(Cc4ccc(Cl)cc4)S(=O)(=O)CC4CC4)(C2)C3)=N[C@H]1C(=O)NCCC(F)(F)F.CC1(C)NC(C23CC(N(Cc4ccc(Cl)cc4)S(=O)(=O)CC4CC4)(C2)C3)=N[C@H]1C(=O)O.COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)C(C23CC(N(Cc4ccc(Cl)cc4)S(=O)(=O)CC4CC4)(C2)C3)=NC1(C)C.COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)C(C23CC(NS(=O)(=O)CC4CC4)(C2)C3)=NC1(C)C.Cl.Clc1ccc(CBr)cc1.NCCC(F)(F)F.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride?
The InChIKey is UCBVWCVBJXROAA-BNARIGLBSA-M. The full InChI is InChI=1S/C28H38ClN3O6S.C25H32ClF3N4O3S.C22H28ClN3O4S.C21H33N3O6S.C7H6BrCl.C3H6F3N.CH2O3.CH4.ClH.2K.H/c1-25(2,3)38-24(34)32-21(22(33)37-6)26(4,5)30-23(32)27-15-28(16-27,17-27)31(39(35,36)14-19-7-8-19)13-18-9-11-20(29)12-10-18;1-22(2)19(20(34)30-10-9-25(27,28)29)31-21(32-22)23-13-24(14-23,15-23)33(37(35,36)12-17-3-4-17)11-16-5-7-18(26)8-6-16;1-20(2)17(18(27)28)24-19(25-20)21-11-22(12-21,13-21)26(31(29,30)10-15-3-4-15)9-14-5-7-16(23)8-6-14;1-18(2,3)30-17(26)24-14(15(25)29-6)19(4,5)22-16(24)20-10-21(11-20,12-20)23-31(27,28)9-13-7-8-13;8-5-6-1-3-7(9)4-2-6;4-3(5,6)1-2-7;2-1-4-3;;;;;/h9-12,19,21H,7-8,13-17H2,1-6H3;5-8,17,19H,3-4,9-15H2,1-2H3,(H,30,34)(H,31,32);5-8,15,17H,3-4,9-13H2,1-2H3,(H,24,25)(H,27,28);13-14,23H,7-12H2,1-6H3;1-4H,5H2;1-2,7H2;1,3H;1H4;1H;;;/q;;;;;;;;;2*+1;-1/p-1/t21-,27?,28?;19-,23?,24?;17-,21?,22?;14-,20?,21?;;;;;;;;/m0000......../s1.
What are the key properties of dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride?
dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride has a molecular weight of 2574.08 g/mol, XLogP of 11.79, 35 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-(bromomethyl)-4-chlorobenzene;3-O-tert-butyl 4-O-methyl (4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;3-O-tert-butyl 4-O-methyl (4R)-2-[3-(cyclopropylmethylsulfonylamino)-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-4H-imidazole-3,4-dicarboxylate;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxylic acid;(4R)-2-[3-[(4-chlorophenyl)methyl-(cyclopropylmethylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide;hydride;methane;oxido formate;3,3,3-trifluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 161340166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).