2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole

C175H179Cl8N45O5 — CID 158807583

IUPAC2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole
SMILESC=C1NC(=O)N(C2CN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)C2)C=C1C.CC1CCN(C2CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)CC2)CC1.Cc1nccc(C2(O)CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)C2)n1.Cc1nnc(C)n1C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.Cc1nnc2n1CCN(c1cc(-c3nc4ccccc4n3C)c(Cl)cn1)C2.Cn1c(-c2cc(N3CC(C4=CC=CC4)C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CCC(O)(CN4CCCC4=O)CC3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CCC(O)(c4ccccn4)C3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C24H30ClN5.C23H26ClN5O2.C22H24ClN7.2C22H21ClN6O.C22H20ClN5O.C21H19ClN4.C19H18ClN7/c1-17-7-11-29(12-8-17)18-9-13-30(14-10-18)23-15-19(20(25)16-26-23)24-27-21-5-3-4-6-22(21)28(24)2;1-27-19-6-3-2-5-18(19)26-22(27)16-13-20(25-14-17(16)24)28-11-8-23(31,9-12-28)15-29-10-4-7-21(29)30;1-14-26-27-15(2)30(14)16-8-10-29(11-9-16)21-12-17(18(23)13-24-21)22-25-19-6-4-5-7-20(19)28(22)3;1-13-10-29(22(30)25-14(13)2)15-11-28(12-15)20-8-16(17(23)9-24-20)21-26-18-6-4-5-7-19(18)27(21)3;1-14-24-9-7-19(26-14)22(30)8-10-29(13-22)20-11-15(16(23)12-25-20)21-27-17-5-3-4-6-18(17)28(21)2;1-27-18-7-3-2-6-17(18)26-21(27)15-12-20(25-13-16(15)23)28-11-9-22(29,14-28)19-8-4-5-10-24-19;1-25-19-9-5-4-8-18(19)24-21(25)16-10-20(23-11-17(16)22)26-12-15(13-26)14-6-2-3-7-14;1-12-23-24-18-11-26(7-8-27(12)18)17-9-13(14(20)10-21-17)19-22-15-5-3-4-6-16(15)25(19)2/h3-6,15-18H,7-14H2,1-2H3;2-3,5-6,13-14,31H,4,7-12,15H2,1H3;4-7,12-13,16H,8-11H2,1-3H3;4-10,15H,2,11-12H2,1,3H3,(H,25,30);3-7,9,11-12,30H,8,10,13H2,1-2H3;2-8,10,12-13,29H,9,11,14H2,1H3;2-6,8-11,15H,7,12-13H2,1H3;3-6,9-10H,7-8,11H2,1-2H3
InChIKeyIUGUGFHGBYGIJI-UHFFFAOYSA-N
MW3276.29 g/mol
LogP31.58
Rot. Bonds24

About 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole

2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole (PubChem CID 158807583) has the molecular formula C175H179Cl8N45O5 and a molecular weight of 3276.29 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole
PubChem CID158807583
Molecular FormulaC175H179Cl8N45O5
Molecular Weight3276.29 g/mol
Exact Mass3270.26
IUPAC Name2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole
SMILESC=C1NC(=O)N(C2CN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)C2)C=C1C.CC1CCN(C2CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)CC2)CC1.Cc1nccc(C2(O)CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)C2)n1.Cc1nnc(C)n1C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.Cc1nnc2n1CCN(c1cc(-c3nc4ccccc4n3C)c(Cl)cn1)C2.Cn1c(-c2cc(N3CC(C4=CC=CC4)C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CCC(O)(CN4CCCC4=O)CC3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CCC(O)(c4ccccn4)C3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C24H30ClN5.C23H26ClN5O2.C22H24ClN7.2C22H21ClN6O.C22H20ClN5O.C21H19ClN4.C19H18ClN7/c1-17-7-11-29(12-8-17)18-9-13-30(14-10-18)23-15-19(20(25)16-26-23)24-27-21-5-3-4-6-22(21)28(24)2;1-27-19-6-3-2-5-18(19)26-22(27)16-13-20(25-14-17(16)24)28-11-8-23(31,9-12-28)15-29-10-4-7-21(29)30;1-14-26-27-15(2)30(14)16-8-10-29(11-9-16)21-12-17(18(23)13-24-21)22-25-19-6-4-5-7-20(19)28(22)3;1-13-10-29(22(30)25-14(13)2)15-11-28(12-15)20-8-16(17(23)9-24-20)21-26-18-6-4-5-7-19(18)27(21)3;1-14-24-9-7-19(26-14)22(30)8-10-29(13-22)20-11-15(16(23)12-25-20)21-27-17-5-3-4-6-18(17)28(21)2;1-27-18-7-3-2-6-17(18)26-21(27)15-12-20(25-13-16(15)23)28-11-9-22(29,14-28)19-8-4-5-10-24-19;1-25-19-9-5-4-8-18(19)24-21(25)16-10-20(23-11-17(16)22)26-12-15(13-26)14-6-2-3-7-14;1-12-23-24-18-11-26(7-8-27(12)18)17-9-13(14(20)10-21-17)19-22-15-5-3-4-6-16(15)25(19)2/h3-6,15-18H,7-14H2,1-2H3;2-3,5-6,13-14,31H,4,7-12,15H2,1H3;4-7,12-13,16H,8-11H2,1-3H3;4-10,15H,2,11-12H2,1,3H3,(H,25,30);3-7,9,11-12,30H,8,10,13H2,1-2H3;2-8,10,12-13,29H,9,11,14H2,1H3;2-6,8-11,15H,7,12-13H2,1H3;3-6,9-10H,7-8,11H2,1-2H3
InChIKeyIUGUGFHGBYGIJI-UHFFFAOYSA-N
XLogP31.58
TPSA488.27 Ų
H-Bond Donors4
H-Bond Acceptors47
Rotatable Bonds24
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003276.29
LogP ≤ 531.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1047

Analyze 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole with MolForge

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Launch Full Analysis

Related Compounds

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;(2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-ethyl-3-hydroxy-2-methylpentanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide);N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide
CID 157591735
1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-hydroxypyrrolidin-3-yl]methyl]pyrrolidin-2-one;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-[(2-methylimidazol-1-yl)methyl]pyrrolidin-3-ol;4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-6-(4-methylpiperazin-1-yl)-1,4-oxazepane;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidin-3-ol;N-[(3R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]acetamide;2-[5-chloro-2-[3-(1-methylimidazol-2-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-(3H-pyrrol-2-yl)azetidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole
CID 158314849
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 158987889
5-Chloro-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;5-fluoro-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one;1-(4-hydroxy-4-methylcyclohexyl)-3-(2-methylpropyl)pyridin-2-one;1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one);bis(1-(4-methoxy-4-methylcyclohexyl)-3-(2-methylpropyl)pyridin-2-one);3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one;2-[3-(propan-2-ylamino)-2-pyridinyl]propan-2-ol
CID 161032918
(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

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole?
The IUPAC name of 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole (CID 158807583) is 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole is C=C1NC(=O)N(C2CN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)C2)C=C1C.CC1CCN(C2CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)CC2)CC1.Cc1nccc(C2(O)CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)C2)n1.Cc1nnc(C)n1C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.Cc1nnc2n1CCN(c1cc(-c3nc4ccccc4n3C)c(Cl)cn1)C2.Cn1c(-c2cc(N3CC(C4=CC=CC4)C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CCC(O)(CN4CCCC4=O)CC3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CCC(O)(c4ccccn4)C3)ncc2Cl)nc2ccccc21.
What is the InChIKey of 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole?
The InChIKey is IUGUGFHGBYGIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5.C23H26ClN5O2.C22H24ClN7.2C22H21ClN6O.C22H20ClN5O.C21H19ClN4.C19H18ClN7/c1-17-7-11-29(12-8-17)18-9-13-30(14-10-18)23-15-19(20(25)16-26-23)24-27-21-5-3-4-6-22(21)28(24)2;1-27-19-6-3-2-5-18(19)26-22(27)16-13-20(25-14-17(16)24)28-11-8-23(31,9-12-28)15-29-10-4-7-21(29)30;1-14-26-27-15(2)30(14)16-8-10-29(11-9-16)21-12-17(18(23)13-24-21)22-25-19-6-4-5-7-20(19)28(22)3;1-13-10-29(22(30)25-14(13)2)15-11-28(12-15)20-8-16(17(23)9-24-20)21-26-18-6-4-5-7-19(18)27(21)3;1-14-24-9-7-19(26-14)22(30)8-10-29(13-22)20-11-15(16(23)12-25-20)21-27-17-5-3-4-6-18(17)28(21)2;1-27-18-7-3-2-6-17(18)26-21(27)15-12-20(25-13-16(15)23)28-11-9-22(29,14-28)19-8-4-5-10-24-19;1-25-19-9-5-4-8-18(19)24-21(25)16-10-20(23-11-17(16)22)26-12-15(13-26)14-6-2-3-7-14;1-12-23-24-18-11-26(7-8-27(12)18)17-9-13(14(20)10-21-17)19-22-15-5-3-4-6-16(15)25(19)2/h3-6,15-18H,7-14H2,1-2H3;2-3,5-6,13-14,31H,4,7-12,15H2,1H3;4-7,12-13,16H,8-11H2,1-3H3;4-10,15H,2,11-12H2,1,3H3,(H,25,30);3-7,9,11-12,30H,8,10,13H2,1-2H3;2-8,10,12-13,29H,9,11,14H2,1H3;2-6,8-11,15H,7,12-13H2,1H3;3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole?
2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole has a molecular weight of 3276.29 g/mol, XLogP of 31.58, 24 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(3-cyclopenta-1,3-dien-1-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-5-methyl-4-methylidenepyrimidin-2-one;1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolidin-2-one;7-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridin-2-ylpyrrolidin-3-ol;2-[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole is sourced from PubChem (CID 158807583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).