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)

C142H163N23O12S5 — CID 160707805

About 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)

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) (PubChem CID 160707805) has the molecular formula C142H163N23O12S5 and a molecular weight of 2544.35 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 160707805
• Molecular Formula: C142H163N23O12S5
• Molecular Weight: 2544.35 g/mol
• Exact Mass: 2542.15
• IUPAC Name: 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)
• SMILES: Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1cccc2[nH]c(C3CCN(Cc4cccc(CCN)c4)CC3)nc12.O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/C26H32N4O2.C22H28N4.4C19H21N3O2S.C18H19N3O2S/c31-26(21-8-10-22(11-9-21)32-19-18-29-14-4-1-5-15-29)30-16-12-20(13-17-30)25-27-23-6-2-3-7-24(23)28-25;1-16-4-2-7-20-21(16)25-22(24-20)19-9-12-26(13-10-19)15-18-6-3-5-17(14-18)8-11-23;4*1-14-6-8-16(9-7-14)25(23,24)22-12-10-15(11-13-22)19-20-17-4-2-3-5-18(17)21-19;22-24(23,15-6-2-1-3-7-15)21-12-10-14(11-13-21)18-19-16-8-4-5-9-17(16)20-18/h2-3,6-11,20H,1,4-5,12-19H2,(H,27,28);2-7,14,19H,8-13,15,23H2,1H3,(H,24,25);4*2-9,15H,10-13H2,1H3,(H,20,21);1-9,14H,10-13H2,(H,19,20)
• InChIKey: RRLNGWXPCWLSMY-UHFFFAOYSA-N
• XLogP: 25.09
• TPSA: 449.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2544.35
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1cccc2[nH]c(C3CCN(Cc4cccc(CCN)c4)CC3)nc12.O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1.

What is the InChIKey of 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)?

The InChIKey is RRLNGWXPCWLSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2.C22H28N4.4C19H21N3O2S.C18H19N3O2S/c31-26(21-8-10-22(11-9-21)32-19-18-29-14-4-1-5-15-29)30-16-12-20(13-17-30)25-27-23-6-2-3-7-24(23)28-25;1-16-4-2-7-20-21(16)25-22(24-20)19-9-12-26(13-10-19)15-18-6-3-5-17(14-18)8-11-23;4*1-14-6-8-16(9-7-14)25(23,24)22-12-10-15(11-13-22)19-20-17-4-2-3-5-18(17)21-19;22-24(23,15-6-2-1-3-7-15)21-12-10-14(11-13-21)18-19-16-8-4-5-9-17(16)20-18/h2-3,6-11,20H,1,4-5,12-19H2,(H,27,28);2-7,14,19H,8-13,15,23H2,1H3,(H,24,25);4*2-9,15H,10-13H2,1H3,(H,20,21);1-9,14H,10-13H2,(H,19,20).

What are the key properties of 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)?

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) has a molecular weight of 2544.35 g/mol, XLogP of 25.09, 26 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 160707805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).