[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole

C141H132N20O13S5 — CID 158045821

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole
SMILESCOc1ccccc1-c1ccc(S(=O)(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1.O=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC(c2nc3ccccc3[nH]2)C1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(CC2=Nc3ccccc3C2)CC1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(Oc2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H26N2O2S.C24H23N3O2S.C23H21N5O.C23H22N4O3S.C23H21N3O3S.C22H19N3O2S/c29-31(30,25-12-10-22(11-13-25)21-6-2-1-3-7-21)28-16-14-20(15-17-28)18-24-19-23-8-4-5-9-26(23)27-24;28-30(29,21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-16-14-20(15-17-27)24-25-22-8-4-5-9-23(22)26-24;29-23(18-8-6-16(7-9-18)21-24-12-3-13-25-21)28-14-10-17(11-15-28)22-26-19-4-1-2-5-20(19)27-22;28-31(29,19-10-11-22(24-16-19)30-18-6-2-1-3-7-18)27-14-12-17(13-15-27)23-25-20-8-4-5-9-21(20)26-23;1-29-22-9-5-2-6-19(22)16-10-12-18(13-11-16)30(27,28)26-14-17(15-26)23-24-20-7-3-4-8-21(20)25-23;26-28(27,19-12-10-17(11-13-19)16-6-2-1-3-7-16)25-14-18(15-25)22-23-20-8-4-5-9-21(20)24-22/h1-13,20H,14-19H2;1-13,20H,14-17H2,(H,25,26);1-9,12-13,17H,10-11,14-15H2,(H,26,27);1-11,16-17H,12-15H2,(H,25,26);2-13,17H,14-15H2,1H3,(H,24,25);1-13,18H,14-15H2,(H,23,24)
InChIKeyFIWZVNVMUVZUMI-UHFFFAOYSA-N
MW2475.07 g/mol
LogP26.67
Rot. Bonds26

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole (PubChem CID 158045821) has the molecular formula C141H132N20O13S5 and a molecular weight of 2475.07 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole
PubChem CID158045821
Molecular FormulaC141H132N20O13S5
Molecular Weight2475.07 g/mol
Exact Mass2472.89
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole
SMILESCOc1ccccc1-c1ccc(S(=O)(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1.O=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC(c2nc3ccccc3[nH]2)C1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(CC2=Nc3ccccc3C2)CC1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(Oc2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H26N2O2S.C24H23N3O2S.C23H21N5O.C23H22N4O3S.C23H21N3O3S.C22H19N3O2S/c29-31(30,25-12-10-22(11-13-25)21-6-2-1-3-7-21)28-16-14-20(15-17-28)18-24-19-23-8-4-5-9-26(23)27-24;28-30(29,21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-16-14-20(15-17-27)24-25-22-8-4-5-9-23(22)26-24;29-23(18-8-6-16(7-9-18)21-24-12-3-13-25-21)28-14-10-17(11-15-28)22-26-19-4-1-2-5-20(19)27-22;28-31(29,19-10-11-22(24-16-19)30-18-6-2-1-3-7-18)27-14-12-17(13-15-27)23-25-20-8-4-5-9-21(20)26-23;1-29-22-9-5-2-6-19(22)16-10-12-18(13-11-16)30(27,28)26-14-17(15-26)23-24-20-7-3-4-8-21(20)25-23;26-28(27,19-12-10-17(11-13-19)16-6-2-1-3-7-16)25-14-18(15-25)22-23-20-8-4-5-9-21(20)24-22/h1-13,20H,14-19H2;1-13,20H,14-17H2,(H,25,26);1-9,12-13,17H,10-11,14-15H2,(H,26,27);1-11,16-17H,12-15H2,(H,25,26);2-13,17H,14-15H2,1H3,(H,24,25);1-13,18H,14-15H2,(H,23,24)
InChIKeyFIWZVNVMUVZUMI-UHFFFAOYSA-N
XLogP26.67
TPSA420.10 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002475.07
LogP ≤ 526.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole with MolForge

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Related Compounds

1,3-dimethylazetidine;ethylbenzene;2-ethyl-1H-benzimidazole;(4-ethylcyclohexyl)methanamine;2-ethyl-1,4-dioxane;2-ethylfuran;1-ethyl-2-methoxybenzene;1-ethyl-4-methoxybenzene;3-ethyl-1-methylazetidine;1-ethyl-4-methylbenzene;2-ethyloxane;2-ethyloxolane;1-(3-ethylphenyl)-N,N-dimethylmethanamine;4-ethylpiperidine;3-ethylpyridine;methane;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyloxolane;1-methyl-2-propylpyrrolidine;2-methylpyrimidine;propylbenzene;4-propylmorpholine;3-propyl-1,3-oxazolidin-2-one;2-propylpyridine
CID 157570026
[4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone
CID 159231957
4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide
CID 159831895
4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
CID 159967526
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;2-[3-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole)
CID 160707805
2-amino-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-1-methylimidazole-4-carboxamide;N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-1-methylimidazole-4-carboxamide
CID 161008731
4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide
CID 161314592
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-phenoxyphenyl)methanone;[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 162122227
5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde
CID 162238152
2-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine;4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine;4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 173072880
[4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone;4-(3-methoxyphenyl)benzaldehyde
CID 173073618
[4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone
CID 173110435

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole (CID 158045821) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole is COc1ccccc1-c1ccc(S(=O)(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1.O=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC(c2nc3ccccc3[nH]2)C1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(CC2=Nc3ccccc3C2)CC1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(Oc2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole?
The InChIKey is FIWZVNVMUVZUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S.C24H23N3O2S.C23H21N5O.C23H22N4O3S.C23H21N3O3S.C22H19N3O2S/c29-31(30,25-12-10-22(11-13-25)21-6-2-1-3-7-21)28-16-14-20(15-17-28)18-24-19-23-8-4-5-9-26(23)27-24;28-30(29,21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-16-14-20(15-17-27)24-25-22-8-4-5-9-23(22)26-24;29-23(18-8-6-16(7-9-18)21-24-12-3-13-25-21)28-14-10-17(11-15-28)22-26-19-4-1-2-5-20(19)27-22;28-31(29,19-10-11-22(24-16-19)30-18-6-2-1-3-7-18)27-14-12-17(13-15-27)23-25-20-8-4-5-9-21(20)26-23;1-29-22-9-5-2-6-19(22)16-10-12-18(13-11-16)30(27,28)26-14-17(15-26)23-24-20-7-3-4-8-21(20)25-23;26-28(27,19-12-10-17(11-13-19)16-6-2-1-3-7-16)25-14-18(15-25)22-23-20-8-4-5-9-21(20)24-22/h1-13,20H,14-19H2;1-13,20H,14-17H2,(H,25,26);1-9,12-13,17H,10-11,14-15H2,(H,26,27);1-11,16-17H,12-15H2,(H,25,26);2-13,17H,14-15H2,1H3,(H,24,25);1-13,18H,14-15H2,(H,23,24).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole has a molecular weight of 2475.07 g/mol, XLogP of 26.67, 26 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole is sourced from PubChem (CID 158045821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).