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-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole

C111H131N25O10S5 — CID 158324279

IUPAC1-[[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-cyclohexylsulfonylpiperidin-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)(C1CCCCC1)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)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C24H27N5O2S.C23H25N5O2S.C22H29N5O2S.C22H23N5O2S.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;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);6-7,12-14,16-17,20H,1-5,8-11,15H2,(H,24,25);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)
InChIKeyGPFLAYGDCCKWRM-UHFFFAOYSA-N
MW2135.77 g/mol
LogP17.97
Rot. Bonds27

About 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-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole

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-cyclohexylsulfonylpiperidin-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 158324279) has the molecular formula C111H131N25O10S5 and a molecular weight of 2135.77 g/mol. Its IUPAC name is 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-cyclohexylsulfonylpiperidin-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 Name1-[[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-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole
PubChem CID158324279
Molecular FormulaC111H131N25O10S5
Molecular Weight2135.77 g/mol
Exact Mass2133.91
IUPAC Name1-[[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-cyclohexylsulfonylpiperidin-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)(C1CCCCC1)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)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C24H27N5O2S.C23H25N5O2S.C22H29N5O2S.C22H23N5O2S.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;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);6-7,12-14,16-17,20H,1-5,8-11,15H2,(H,24,25);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)
InChIKeyGPFLAYGDCCKWRM-UHFFFAOYSA-N
XLogP17.97
TPSA419.40 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002135.77
LogP ≤ 517.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 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-cyclohexylsulfonylpiperidin-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 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-cyclohexylsulfonylpiperidin-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 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-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole (CID 158324279) is 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-cyclohexylsulfonylpiperidin-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 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-cyclohexylsulfonylpiperidin-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 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-cyclohexylsulfonylpiperidin-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)(C1CCCCC1)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)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 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-cyclohexylsulfonylpiperidin-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 GPFLAYGDCCKWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S.C23H25N5O2S.C22H29N5O2S.C22H23N5O2S.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;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);6-7,12-14,16-17,20H,1-5,8-11,15H2,(H,24,25);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 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-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole?
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-cyclohexylsulfonylpiperidin-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 2135.77 g/mol, XLogP of 17.97, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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-cyclohexylsulfonylpiperidin-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 158324279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).