2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole

C139H137BrF4N24O2 — CID 158657753

IUPAC2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole
SMILESBrc1ccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)cc1.COc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.COc1cccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)c1.FC(F)(F)c1cccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)c1.Fc1cccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)c1.c1cc(-c2ccc3nc(C4CCCNC4)[nH]c3c2)ccn1
InChIInChI=1S/C25H23F3N4.C25H26N4O.C24H23BrN4.C24H23FN4.C24H24N4O.C17H18N4/c26-25(27,28)21-5-1-3-17(13-21)15-32-12-2-4-20(16-32)24-30-22-7-6-19(14-23(22)31-24)18-8-10-29-11-9-18;1-30-22-6-2-4-18(14-22)16-29-13-3-5-21(17-29)25-27-23-8-7-20(15-24(23)28-25)19-9-11-26-12-10-19;25-21-6-3-17(4-7-21)15-29-13-1-2-20(16-29)24-27-22-8-5-19(14-23(22)28-24)18-9-11-26-12-10-18;25-21-5-1-3-17(13-21)15-29-12-2-4-20(16-29)24-27-22-7-6-19(14-23(22)28-24)18-8-10-26-11-9-18;1-29-20-7-4-17(5-8-20)16-28-14-2-3-23(28)24-26-21-9-6-19(15-22(21)27-24)18-10-12-25-13-11-18;1-2-14(11-19-7-1)17-20-15-4-3-13(10-16(15)21-17)12-5-8-18-9-6-12/h1,3,5-11,13-14,20H,2,4,12,15-16H2,(H,30,31);2,4,6-12,14-15,21H,3,5,13,16-17H2,1H3,(H,27,28);3-12,14,20H,1-2,13,15-16H2,(H,27,28);1,3,5-11,13-14,20H,2,4,12,15-16H2,(H,27,28);4-13,15,23H,2-3,14,16H2,1H3,(H,26,27);3-6,8-10,14,19H,1-2,7,11H2,(H,20,21)/t;;;;23-;/m....0./s1
InChIKeyICIXZFOTCCITAH-LVPLCJFBSA-N
MW2331.69 g/mol
LogP30.01
Rot. Bonds24

About 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole

2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole (PubChem CID 158657753) has the molecular formula C139H137BrF4N24O2 and a molecular weight of 2331.69 g/mol. Its IUPAC name is 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole
PubChem CID158657753
Molecular FormulaC139H137BrF4N24O2
Molecular Weight2331.69 g/mol
Exact Mass2329.05
IUPAC Name2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole
SMILESBrc1ccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)cc1.COc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.COc1cccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)c1.FC(F)(F)c1cccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)c1.Fc1cccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)c1.c1cc(-c2ccc3nc(C4CCCNC4)[nH]c3c2)ccn1
InChIInChI=1S/C25H23F3N4.C25H26N4O.C24H23BrN4.C24H23FN4.C24H24N4O.C17H18N4/c26-25(27,28)21-5-1-3-17(13-21)15-32-12-2-4-20(16-32)24-30-22-7-6-19(14-23(22)31-24)18-8-10-29-11-9-18;1-30-22-6-2-4-18(14-22)16-29-13-3-5-21(17-29)25-27-23-8-7-20(15-24(23)28-25)19-9-11-26-12-10-19;25-21-6-3-17(4-7-21)15-29-13-1-2-20(16-29)24-27-22-8-5-19(14-23(22)28-24)18-9-11-26-12-10-18;25-21-5-1-3-17(13-21)15-29-12-2-4-20(16-29)24-27-22-7-6-19(14-23(22)28-24)18-8-10-26-11-9-18;1-29-20-7-4-17(5-8-20)16-28-14-2-3-23(28)24-26-21-9-6-19(15-22(21)27-24)18-10-12-25-13-11-18;1-2-14(11-19-7-1)17-20-15-4-3-13(10-16(15)21-17)12-5-8-18-9-6-12/h1,3,5-11,13-14,20H,2,4,12,15-16H2,(H,30,31);2,4,6-12,14-15,21H,3,5,13,16-17H2,1H3,(H,27,28);3-12,14,20H,1-2,13,15-16H2,(H,27,28);1,3,5-11,13-14,20H,2,4,12,15-16H2,(H,27,28);4-13,15,23H,2-3,14,16H2,1H3,(H,26,27);3-6,8-10,14,19H,1-2,7,11H2,(H,20,21)/t;;;;23-;/m....0./s1
InChIKeyICIXZFOTCCITAH-LVPLCJFBSA-N
XLogP30.01
TPSA296.11 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002331.69
LogP ≤ 530.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole with MolForge

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Related Compounds

6-[1-[3,5-difluoro-4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]-2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrol-3-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 68279017
6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157202692
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157293772
2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(5-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 157737052
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine);N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine
CID 158345766
6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-(3-cyclopropyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine
CID 158730247
2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 159363321
6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 159583810
bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 159698464
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 159712568
2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 159869831
N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 159905756

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole (CID 158657753) is 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole is Brc1ccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)cc1.COc1ccc(CN2CCC[C@H]2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.COc1cccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)c1.FC(F)(F)c1cccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)c1.Fc1cccc(CN2CCCC(c3nc4ccc(-c5ccncc5)cc4[nH]3)C2)c1.c1cc(-c2ccc3nc(C4CCCNC4)[nH]c3c2)ccn1.
What is the InChIKey of 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole?
The InChIKey is ICIXZFOTCCITAH-LVPLCJFBSA-N. The full InChI is InChI=1S/C25H23F3N4.C25H26N4O.C24H23BrN4.C24H23FN4.C24H24N4O.C17H18N4/c26-25(27,28)21-5-1-3-17(13-21)15-32-12-2-4-20(16-32)24-30-22-7-6-19(14-23(22)31-24)18-8-10-29-11-9-18;1-30-22-6-2-4-18(14-22)16-29-13-3-5-21(17-29)25-27-23-8-7-20(15-24(23)28-25)19-9-11-26-12-10-19;25-21-6-3-17(4-7-21)15-29-13-1-2-20(16-29)24-27-22-8-5-19(14-23(22)28-24)18-9-11-26-12-10-18;25-21-5-1-3-17(13-21)15-29-12-2-4-20(16-29)24-27-22-7-6-19(14-23(22)28-24)18-8-10-26-11-9-18;1-29-20-7-4-17(5-8-20)16-28-14-2-3-23(28)24-26-21-9-6-19(15-22(21)27-24)18-10-12-25-13-11-18;1-2-14(11-19-7-1)17-20-15-4-3-13(10-16(15)21-17)12-5-8-18-9-6-12/h1,3,5-11,13-14,20H,2,4,12,15-16H2,(H,30,31);2,4,6-12,14-15,21H,3,5,13,16-17H2,1H3,(H,27,28);3-12,14,20H,1-2,13,15-16H2,(H,27,28);1,3,5-11,13-14,20H,2,4,12,15-16H2,(H,27,28);4-13,15,23H,2-3,14,16H2,1H3,(H,26,27);3-6,8-10,14,19H,1-2,7,11H2,(H,20,21)/t;;;;23-;/m....0./s1.
What are the key properties of 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole?
2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole has a molecular weight of 2331.69 g/mol, XLogP of 30.01, 24 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 158657753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).