2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole

C140H129BrClF5N24 — CID 160597196

IUPAC2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESBrc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.Clc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.FC(F)(F)c1cccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)c1.Fc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)c(F)c1.c1ccc(CCN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.c1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1
InChIInChI=1S/C24H21F3N4.C24H24N4.C23H21BrN4.C23H21ClN4.C23H20F2N4.C23H22N4/c25-24(26,27)19-4-1-3-16(13-19)15-31-12-2-5-22(31)23-29-20-7-6-18(14-21(20)30-23)17-8-10-28-11-9-17;1-2-5-18(6-3-1)12-16-28-15-4-7-23(28)24-26-21-9-8-20(17-22(21)27-24)19-10-13-25-14-11-19;2*24-19-6-3-16(4-7-19)15-28-13-1-2-22(28)23-26-20-8-5-18(14-21(20)27-23)17-9-11-25-12-10-17;24-18-5-3-17(19(25)13-18)14-29-11-1-2-22(29)23-27-20-6-4-16(12-21(20)28-23)15-7-9-26-10-8-15;1-2-5-17(6-3-1)16-27-14-4-7-22(27)23-25-20-9-8-19(15-21(20)26-23)18-10-12-24-13-11-18/h1,3-4,6-11,13-14,22H,2,5,12,15H2,(H,29,30);1-3,5-6,8-11,13-14,17,23H,4,7,12,15-16H2,(H,26,27);2*3-12,14,22H,1-2,13,15H2,(H,26,27);3-10,12-13,22H,1-2,11,14H2,(H,27,28);1-3,5-6,8-13,15,22H,4,7,14,16H2,(H,25,26)/t22-;23-;4*22-/m000000/s1
InChIKeyRDUCAMUTUPXGIW-AZQMUVTBSA-N
MW2358.09 g/mol
LogP32.53
Rot. Bonds25

About 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole

2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 160597196) has the molecular formula C140H129BrClF5N24 and a molecular weight of 2358.09 g/mol. Its IUPAC name is 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID160597196
Molecular FormulaC140H129BrClF5N24
Molecular Weight2358.09 g/mol
Exact Mass2354.96
IUPAC Name2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESBrc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.Clc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.FC(F)(F)c1cccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)c1.Fc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)c(F)c1.c1ccc(CCN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.c1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1
InChIInChI=1S/C24H21F3N4.C24H24N4.C23H21BrN4.C23H21ClN4.C23H20F2N4.C23H22N4/c25-24(26,27)19-4-1-3-16(13-19)15-31-12-2-5-22(31)23-29-20-7-6-18(14-21(20)30-23)17-8-10-28-11-9-17;1-2-5-18(6-3-1)12-16-28-15-4-7-23(28)24-26-21-9-8-20(17-22(21)27-24)19-10-13-25-14-11-19;2*24-19-6-3-16(4-7-19)15-28-13-1-2-22(28)23-26-20-8-5-18(14-21(20)27-23)17-9-11-25-12-10-17;24-18-5-3-17(19(25)13-18)14-29-11-1-2-22(29)23-27-20-6-4-16(12-21(20)28-23)15-7-9-26-10-8-15;1-2-5-17(6-3-1)16-27-14-4-7-22(27)23-25-20-9-8-19(15-21(20)26-23)18-10-12-24-13-11-18/h1,3-4,6-11,13-14,22H,2,5,12,15H2,(H,29,30);1-3,5-6,8-11,13-14,17,23H,4,7,12,15-16H2,(H,26,27);2*3-12,14,22H,1-2,13,15H2,(H,26,27);3-10,12-13,22H,1-2,11,14H2,(H,27,28);1-3,5-6,8-13,15,22H,4,7,14,16H2,(H,25,26)/t22-;23-;4*22-/m000000/s1
InChIKeyRDUCAMUTUPXGIW-AZQMUVTBSA-N
XLogP32.53
TPSA268.86 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002358.09
LogP ≤ 532.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole with MolForge

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Related Compounds

4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole
CID 157185595
6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 157213669
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157378604
1-[4,6-Bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
CID 157458102
CID 157458247
CID 157458247
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;1,9-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indole;1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;9-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 157781785
2-(3-bromophenyl)-N-cyclopentylimidazo[1,2-a]pyridin-3-amine;2-(4-bromophenyl)-N-cyclopentylimidazo[1,2-a]pyridin-3-amine;2-(6-chloro-2-fluoro-3-methylphenyl)-N-cyclopentylimidazo[1,2-a]pyridin-3-amine;2-(4-chloro-3-fluorophenyl)-N-cyclopentylimidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 157839953
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine;8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;2-[3-chloro-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine;8-[2-[3-chloro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
CID 157846236
6-(4-bromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-chloro-3-fluorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(4,5-dichloro-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine
CID 157898960
8-Bromo-3-tert-butyl-2-phenylimidazo[1,2-a]pyridine;3-tert-butyl-8-fluoro-2-phenylimidazo[1,2-a]pyridine;3-tert-butyl-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;8-chloro-2-phenyl-3-propan-2-ylimidazo[1,2-a]pyridine;8-methyl-2-phenyl-3-propan-2-ylimidazo[1,2-a]pyridine;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyridine;2-phenyl-3-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157965803
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-(1,1-difluoroethyl)-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-fluoro-4-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine)
CID 158583131
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 158828415

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole (CID 160597196) is 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole is Brc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.Clc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.FC(F)(F)c1cccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)c1.Fc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)c(F)c1.c1ccc(CCN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.c1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.
What is the InChIKey of 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is RDUCAMUTUPXGIW-AZQMUVTBSA-N. The full InChI is InChI=1S/C24H21F3N4.C24H24N4.C23H21BrN4.C23H21ClN4.C23H20F2N4.C23H22N4/c25-24(26,27)19-4-1-3-16(13-19)15-31-12-2-5-22(31)23-29-20-7-6-18(14-21(20)30-23)17-8-10-28-11-9-17;1-2-5-18(6-3-1)12-16-28-15-4-7-23(28)24-26-21-9-8-20(17-22(21)27-24)19-10-13-25-14-11-19;2*24-19-6-3-16(4-7-19)15-28-13-1-2-22(28)23-26-20-8-5-18(14-21(20)27-23)17-9-11-25-12-10-17;24-18-5-3-17(19(25)13-18)14-29-11-1-2-22(29)23-27-20-6-4-16(12-21(20)28-23)15-7-9-26-10-8-15;1-2-5-17(6-3-1)16-27-14-4-7-22(27)23-25-20-9-8-19(15-21(20)26-23)18-10-12-24-13-11-18/h1,3-4,6-11,13-14,22H,2,5,12,15H2,(H,29,30);1-3,5-6,8-11,13-14,17,23H,4,7,12,15-16H2,(H,26,27);2*3-12,14,22H,1-2,13,15H2,(H,26,27);3-10,12-13,22H,1-2,11,14H2,(H,27,28);1-3,5-6,8-13,15,22H,4,7,14,16H2,(H,25,26)/t22-;23-;4*22-/m000000/s1.
What are the key properties of 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 2358.09 g/mol, XLogP of 32.53, 25 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 160597196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).