bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole

C133H147ClN30O12S6 — CID 162020066

IUPACbis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole
SMILESCC(C)(C)S(=O)(=O)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(CCc1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(Cc1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C24H27N5O2S.C23H25N5O2S.C22H22ClN5O2S.2C22H23N5O2S.C20H27N5O2S/c30-32(31,13-10-19-4-2-1-3-5-19)29-11-8-20(9-12-29)17-28-18-25-23-14-21(6-7-24(23)28)22-15-26-27-16-22;29-31(30,16-19-4-2-1-3-5-19)28-10-8-18(9-11-28)15-27-17-24-22-12-20(6-7-23(22)27)21-13-25-26-14-21;23-19-2-4-20(5-3-19)31(29,30)28-9-7-16(8-10-28)14-27-15-24-21-11-17(1-6-22(21)27)18-12-25-26-13-18;2*28-30(29,20-4-2-1-3-5-20)27-10-8-17(9-11-27)15-26-16-23-21-12-18(6-7-22(21)26)19-13-24-25-14-19;1-20(2,3)28(26,27)25-8-6-15(7-9-25)13-24-14-21-18-10-16(4-5-19(18)24)17-11-22-23-12-17/h1-7,14-16,18,20H,8-13,17H2,(H,26,27);1-7,12-14,17-18H,8-11,15-16H2,(H,25,26);1-6,11-13,15-16H,7-10,14H2,(H,25,26);2*1-7,12-14,16-17H,8-11,15H2,(H,24,25);4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23)
InChIKeyYUQFTKNBVDNFSK-UHFFFAOYSA-N
MW2585.69 g/mol
LogP21.88
Rot. Bonds32

About bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole

bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole (PubChem CID 162020066) has the molecular formula C133H147ClN30O12S6 and a molecular weight of 2585.69 g/mol. Its IUPAC name is bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole.

Molecular Properties

Compound Namebis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole
PubChem CID162020066
Molecular FormulaC133H147ClN30O12S6
Molecular Weight2585.69 g/mol
Exact Mass2582.98
IUPAC Namebis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole
SMILESCC(C)(C)S(=O)(=O)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(CCc1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(Cc1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C24H27N5O2S.C23H25N5O2S.C22H22ClN5O2S.2C22H23N5O2S.C20H27N5O2S/c30-32(31,13-10-19-4-2-1-3-5-19)29-11-8-20(9-12-29)17-28-18-25-23-14-21(6-7-24(23)28)22-15-26-27-16-22;29-31(30,16-19-4-2-1-3-5-19)28-10-8-18(9-11-28)15-27-17-24-22-12-20(6-7-23(22)27)21-13-25-26-14-21;23-19-2-4-20(5-3-19)31(29,30)28-9-7-16(8-10-28)14-27-15-24-21-11-17(1-6-22(21)27)18-12-25-26-13-18;2*28-30(29,20-4-2-1-3-5-20)27-10-8-17(9-11-27)15-26-16-23-21-12-18(6-7-22(21)26)19-13-24-25-14-19;1-20(2,3)28(26,27)25-8-6-15(7-9-25)13-24-14-21-18-10-16(4-5-19(18)24)17-11-22-23-12-17/h1-7,14-16,18,20H,8-13,17H2,(H,26,27);1-7,12-14,17-18H,8-11,15-16H2,(H,25,26);1-6,11-13,15-16H,7-10,14H2,(H,25,26);2*1-7,12-14,16-17H,8-11,15H2,(H,24,25);4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23)
InChIKeyYUQFTKNBVDNFSK-UHFFFAOYSA-N
XLogP21.88
TPSA503.28 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms182
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002585.69
LogP ≤ 521.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole?
The IUPAC name of bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole (CID 162020066) is bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole.
What is the SMILES notation for bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole?
The canonical SMILES for bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole is CC(C)(C)S(=O)(=O)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(CCc1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(Cc1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole?
The InChIKey is YUQFTKNBVDNFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S.C23H25N5O2S.C22H22ClN5O2S.2C22H23N5O2S.C20H27N5O2S/c30-32(31,13-10-19-4-2-1-3-5-19)29-11-8-20(9-12-29)17-28-18-25-23-14-21(6-7-24(23)28)22-15-26-27-16-22;29-31(30,16-19-4-2-1-3-5-19)28-10-8-18(9-11-28)15-27-17-24-22-12-20(6-7-23(22)27)21-13-25-26-14-21;23-19-2-4-20(5-3-19)31(29,30)28-9-7-16(8-10-28)14-27-15-24-21-11-17(1-6-22(21)27)18-12-25-26-13-18;2*28-30(29,20-4-2-1-3-5-20)27-10-8-17(9-11-27)15-26-16-23-21-12-18(6-7-22(21)26)19-13-24-25-14-19;1-20(2,3)28(26,27)25-8-6-15(7-9-25)13-24-14-21-18-10-16(4-5-19(18)24)17-11-22-23-12-17/h1-7,14-16,18,20H,8-13,17H2,(H,26,27);1-7,12-14,17-18H,8-11,15-16H2,(H,25,26);1-6,11-13,15-16H,7-10,14H2,(H,25,26);2*1-7,12-14,16-17H,8-11,15H2,(H,24,25);4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23).
What are the key properties of bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole?
bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole has a molecular weight of 2585.69 g/mol, XLogP of 21.88, 32 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole is sourced from PubChem (CID 162020066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).