About 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride
2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride (PubChem CID 158525588) has the molecular formula C161H151BBr5Cl4F10N15O24
and a molecular weight of 3422.18 g/mol. Its IUPAC name is 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride?
The IUPAC name of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride (CID 158525588) is 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride.
What is the SMILES notation for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride?
The canonical SMILES for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride is COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)c1.COC(=O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3ccc(Br)c(F)c3)n(C[C@@H]3CCO3)c2c1.COC(Cc1ccc(Br)c(F)c1)(OC)OC.Cl.Fc1cc(Cl)ccc1COc1cccc(Br)n1.N#CCc1ccc(Br)c(F)c1.O=C(O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2c1.[H]/N=C(/Cc1ccc(Br)c(F)c1)OC.
What is the InChIKey of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride?
The InChIKey is IOKXNGZZGNMOAK-LHCBIOPBSA-N. The full InChI is InChI=1S/C32H26ClF2N3O4.C31H24ClF2N3O4.C26H30BFN2O5.C20H18BrFN2O3.C12H8BrClFNO.C12H16N2O3.C11H14BrFO3.C9H9BrFNO.C8H5BrFN.ClH/c1-40-32(39)20-7-10-28-29(15-20)38(17-23-11-12-41-23)30(36-28)14-19-5-9-24(26(35)13-19)27-3-2-4-31(37-27)42-18-21-6-8-22(33)16-25(21)34;32-21-7-5-20(24(33)15-21)17-41-30-3-1-2-26(36-30)23-8-4-18(12-25(23)34)13-29-35-27-9-6-19(31(38)39)14-28(27)37(29)16-22-10-11-40-22;1-25(2)26(3,4)35-27(34-25)19-8-6-16(12-20(19)28)13-23-29-21-9-7-17(24(31)32-5)14-22(21)30(23)15-18-10-11-33-18;1-26-20(25)13-3-5-17-18(10-13)24(11-14-6-7-27-14)19(23-17)9-12-2-4-15(21)16(22)8-12;13-11-2-1-3-12(16-11)17-7-8-4-5-9(14)6-10(8)15;1-16-12(15)8-2-3-10(13)11(6-8)14-7-9-4-5-17-9;1-14-11(15-2,16-3)7-8-4-5-9(12)10(13)6-8;1-13-9(12)5-6-2-3-7(10)8(11)4-6;9-7-2-1-6(3-4-11)5-8(7)10;/h2-10,13,15-16,23H,11-12,14,17-18H2,1H3;1-9,12,14-15,22H,10-11,13,16-17H2,(H,38,39);6-9,12,14,18H,10-11,13,15H2,1-5H3;2-5,8,10,14H,6-7,9,11H2,1H3;1-6H,7H2;2-3,6,9,14H,4-5,7,13H2,1H3;4-6H,7H2,1-3H3;2-4,12H,5H2,1H3;1-2,5H,3H2;1H/b;;;;;;;12-9-;;/t23-;22-;18-;14-;;9-;;;;/m0000.0..../s1.
What are the key properties of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride?
2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride has a molecular weight of 3422.18 g/mol, XLogP of 35.23, 44 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-3-fluorophenyl)acetonitrile;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-(4-bromo-3-fluorophenyl)ethanimidate;methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 158525588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).