[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone

C145H133F4N21O10S2 — CID 161043620

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c(OC)c1.O=C(c1cc(-c2ccccc2)cs1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1cnc(-c2ccccc2)s1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1cnn(-c2ccccc2)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H27N3O3.C26H22F3N3O2.C25H22FN3O2.C23H21N3OS.C22H21N5O.C22H20N4OS/c1-32-21-11-12-22(25(17-21)33-2)18-7-9-20(10-8-18)27(31)30-15-13-19(14-16-30)26-28-23-5-3-4-6-24(23)29-26;27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24;26-19-7-11-21(12-8-19)31-20-9-5-18(6-10-20)25(30)29-15-13-17(14-16-29)24-27-22-3-1-2-4-23(22)28-24;27-23(21-14-18(15-28-21)16-6-2-1-3-7-16)26-12-10-17(11-13-26)22-24-19-8-4-5-9-20(19)25-22;28-22(17-14-23-27(15-17)18-6-2-1-3-7-18)26-12-10-16(11-13-26)21-24-19-8-4-5-9-20(19)25-21;27-22(19-14-23-21(28-19)16-6-2-1-3-7-16)26-12-10-15(11-13-26)20-24-17-8-4-5-9-18(17)25-20/h3-12,17,19H,13-16H2,1-2H3,(H,28,29);1-12,19H,13-16H2,(H,30,31);1-12,17H,13-16H2,(H,27,28);1-9,14-15,17H,10-13H2,(H,24,25);1-9,14-16H,10-13H2,(H,24,25);1-9,14-15H,10-13H2,(H,24,25)
InChIKeyUBFADPRVEHCAGH-UHFFFAOYSA-N
MW2469.92 g/mol
LogP30.72
Rot. Bonds22

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone (PubChem CID 161043620) has the molecular formula C145H133F4N21O10S2 and a molecular weight of 2469.92 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
PubChem CID161043620
Molecular FormulaC145H133F4N21O10S2
Molecular Weight2469.92 g/mol
Exact Mass2467.99
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c(OC)c1.O=C(c1cc(-c2ccccc2)cs1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1cnc(-c2ccccc2)s1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1cnn(-c2ccccc2)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H27N3O3.C26H22F3N3O2.C25H22FN3O2.C23H21N3OS.C22H21N5O.C22H20N4OS/c1-32-21-11-12-22(25(17-21)33-2)18-7-9-20(10-8-18)27(31)30-15-13-19(14-16-30)26-28-23-5-3-4-6-24(23)29-26;27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24;26-19-7-11-21(12-8-19)31-20-9-5-18(6-10-20)25(30)29-15-13-17(14-16-29)24-27-22-3-1-2-4-23(22)28-24;27-23(21-14-18(15-28-21)16-6-2-1-3-7-16)26-12-10-17(11-13-26)22-24-19-8-4-5-9-20(19)25-22;28-22(17-14-23-27(15-17)18-6-2-1-3-7-18)26-12-10-16(11-13-26)21-24-19-8-4-5-9-20(19)25-21;27-22(19-14-23-21(28-19)16-6-2-1-3-7-16)26-12-10-15(11-13-26)20-24-17-8-4-5-9-18(17)25-20/h3-12,17,19H,13-16H2,1-2H3,(H,28,29);1-12,19H,13-16H2,(H,30,31);1-12,17H,13-16H2,(H,27,28);1-9,14-15,17H,10-13H2,(H,24,25);1-9,14-16H,10-13H2,(H,24,25);1-9,14-15H,10-13H2,(H,24,25)
InChIKeyUBFADPRVEHCAGH-UHFFFAOYSA-N
XLogP30.72
TPSA361.57 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002469.92
LogP ≤ 530.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone with MolForge

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Related Compounds

CID 158268952
CID 158268952
1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide
CID 158309590
N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;4-(2,2-dimethylpropoxy)benzamide;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one
CID 159055312
N-[5-(5-acetyl-2-fluorophenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-ethylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide
CID 159417614
3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one;[3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium;6-ethyl-7-hydroxy-8-[(R)-(4-methoxyphenyl)-morpholin-4-ium-4-ylmethyl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one;6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-[(4-propylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one;6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-[[(3S)-3-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]chromen-4-one;6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one
CID 161302270
2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 161498121
CID 161582296
CID 161582296
2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;3-fluoro-1-methylpyrrolidine;(3R)-3-fluoro-1-methylpyrrolidine;(3S)-3-fluoro-1-methylpyrrolidine;methane;1-methoxybut-2-ene;2-methyl-1-benzofuran;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;1-methylimidazole;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;bis(1-methylpiperidine);1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;1-methylpyrrole;2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;(3S)-1-methylpyrrolidin-3-ol;(3R)-1-methylpyrrolidin-3-ol;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole
CID 159575274
5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one
CID 159666914
CID 159803746
CID 159803746
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[3,5-dimethyl-1-(2H-pyrrol-4-yl)pyrazol-4-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(1-methyl-4-pyridin-3-ylimidazol-2-yl)-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 160234682
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 161619237

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone (CID 161043620) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone is COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c(OC)c1.O=C(c1cc(-c2ccccc2)cs1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1cnc(-c2ccccc2)s1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1cnn(-c2ccccc2)c1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
The InChIKey is UBFADPRVEHCAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3.C26H22F3N3O2.C25H22FN3O2.C23H21N3OS.C22H21N5O.C22H20N4OS/c1-32-21-11-12-22(25(17-21)33-2)18-7-9-20(10-8-18)27(31)30-15-13-19(14-16-30)26-28-23-5-3-4-6-24(23)29-26;27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24;26-19-7-11-21(12-8-19)31-20-9-5-18(6-10-20)25(30)29-15-13-17(14-16-29)24-27-22-3-1-2-4-23(22)28-24;27-23(21-14-18(15-28-21)16-6-2-1-3-7-16)26-12-10-17(11-13-26)22-24-19-8-4-5-9-20(19)25-22;28-22(17-14-23-27(15-17)18-6-2-1-3-7-18)26-12-10-16(11-13-26)21-24-19-8-4-5-9-20(19)25-21;27-22(19-14-23-21(28-19)16-6-2-1-3-7-16)26-12-10-15(11-13-26)20-24-17-8-4-5-9-18(17)25-20/h3-12,17,19H,13-16H2,1-2H3,(H,28,29);1-12,19H,13-16H2,(H,30,31);1-12,17H,13-16H2,(H,27,28);1-9,14-15,17H,10-13H2,(H,24,25);1-9,14-16H,10-13H2,(H,24,25);1-9,14-15H,10-13H2,(H,24,25).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone has a molecular weight of 2469.92 g/mol, XLogP of 30.72, 22 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone is sourced from PubChem (CID 161043620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).