About (3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
(3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole (PubChem CID 161153480) has the molecular formula C164H165Cl8N43O5
and a molecular weight of 3102.04 g/mol. Its IUPAC name is (3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole.
Frequently Asked Questions
What is the IUPAC name of (3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The IUPAC name of (3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole (CID 161153480) is (3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole.
What is the SMILES notation for (3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The canonical SMILES for (3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole is C=C1CCN=C(N2CCCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)CC2)C1.CN(C)C(=O)CO[C@H]1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1.C[C@@H]1CN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C[C@@H]1O.C[C@@H]1CN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C[C@H]1O.Cn1c(-c2cc(N3CC(c4ccccn4)C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CC(c4ncccn4)C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CCC(O)(c4cncnc4)C3)ncc2Cl)nc2ccccc21.Cn1cnnc1C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.
What is the InChIKey of (3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The InChIKey is UOZLZCPEALPKAV-SVMPNAGRSA-N. The full InChI is InChI=1S/C24H27ClN6.C21H22ClN7.C21H19ClN6O.C21H24ClN5O2.C21H18ClN5.C20H17ClN6.2C18H19ClN4O/c1-17-8-9-26-22(14-17)30-10-5-11-31(13-12-30)23-15-18(19(25)16-27-23)24-28-20-6-3-4-7-21(20)29(24)2;1-27-13-24-26-20(27)14-7-9-29(10-8-14)19-11-15(16(22)12-23-19)21-25-17-5-3-4-6-18(17)28(21)2;1-27-18-5-3-2-4-17(18)26-20(27)15-8-19(25-11-16(15)22)28-7-6-21(29,12-28)14-9-23-13-24-10-14;1-25(2)20(28)13-29-14-8-9-27(12-14)19-10-15(16(22)11-23-19)21-24-17-6-4-5-7-18(17)26(21)3;1-26-19-8-3-2-7-18(19)25-21(26)15-10-20(24-11-16(15)22)27-12-14(13-27)17-6-4-5-9-23-17;1-26-17-6-3-2-5-16(17)25-20(26)14-9-18(24-10-15(14)21)27-11-13(12-27)19-22-7-4-8-23-19;2*1-11-9-23(10-16(11)24)17-7-12(13(19)8-20-17)18-21-14-5-3-4-6-15(14)22(18)2/h3-4,6-7,15-16H,1,5,8-14H2,2H3;3-6,11-14H,7-10H2,1-2H3;2-5,8-11,13,29H,6-7,12H2,1H3;4-7,10-11,14H,8-9,12-13H2,1-3H3;2-11,14H,12-13H2,1H3;2-10,13H,11-12H2,1H3;2*3-8,11,16,24H,9-10H2,1-2H3/t;;;14-;;;11-,16+;11-,16-/m...0..11/s1.
What are the key properties of (3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
(3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole has a molecular weight of 3102.04 g/mol, XLogP of 28.68, 23 rotatable bonds, 3 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;(3S,4R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-methylpyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-5-ylpyrrolidin-3-ol;2-[(3S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]oxy-N,N-dimethylacetamide;2-[5-chloro-2-[4-(4-methylidene-3,5-dihydro-2H-pyridin-6-yl)-1,4-diazepan-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyrimidin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole is sourced from PubChem (CID 161153480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).