bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

C174H180FN21O19S3 — CID 161212942

About bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 161212942) has the molecular formula C174H180FN21O19S3 and a molecular weight of 2984.68 g/mol. Its IUPAC name is bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
• PubChem CID: 161212942
• Molecular Formula: C174H180FN21O19S3
• Molecular Weight: 2984.68 g/mol
• Exact Mass: 2982.29
• IUPAC Name: bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
• SMILES: COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1ccc(C)cc1.COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1ccc(C)cc1.COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1cccc(C)c1.COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1cccc(C)c1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1F.O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/4C28H29N3O3.C24H23N3O3S.C19H20FN3O2S.C19H21N3O2S/c2*1-19-6-5-7-20(16-19)18-34-25-11-10-22(17-26(25)33-2)28(32)31-14-12-21(13-15-31)27-29-23-8-3-4-9-24(23)30-27;2*1-19-7-9-20(10-8-19)18-34-25-12-11-22(17-26(25)33-2)28(32)31-15-13-21(14-16-31)27-29-23-5-3-4-6-24(23)30-27;28-31(29,21-12-10-20(11-13-21)30-19-6-2-1-3-7-19)27-16-14-18(15-17-27)24-25-22-8-4-5-9-23(22)26-24;1-13-6-7-15(12-16(13)20)26(24,25)23-10-8-14(9-11-23)19-21-17-4-2-3-5-18(17)22-19;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/h2*3-11,16-17,21H,12-15,18H2,1-2H3,(H,29,30);2*3-12,17,21H,13-16,18H2,1-2H3,(H,29,30);1-13,18H,14-17H2,(H,25,26);2-7,12,14H,8-11H2,1H3,(H,21,22);2-9,15H,10-13H2,1H3,(H,20,21)
• InChIKey: UWMDINBXCCVDLQ-UHFFFAOYSA-N
• XLogP: 33.86
• TPSA: 477.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2984.68
LogP ≤ 5	33.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?

The IUPAC name of bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (CID 161212942) is bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.

What is the SMILES notation for bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?

The canonical SMILES for bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1ccc(C)cc1.COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1ccc(C)cc1.COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1cccc(C)c1.COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1cccc(C)c1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1F.O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.

What is the InChIKey of bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?

The InChIKey is UWMDINBXCCVDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C28H29N3O3.C24H23N3O3S.C19H20FN3O2S.C19H21N3O2S/c2*1-19-6-5-7-20(16-19)18-34-25-11-10-22(17-26(25)33-2)28(32)31-14-12-21(13-15-31)27-29-23-8-3-4-9-24(23)30-27;2*1-19-7-9-20(10-8-19)18-34-25-12-11-22(17-26(25)33-2)28(32)31-15-13-21(14-16-31)27-29-23-5-3-4-6-24(23)30-27;28-31(29,21-12-10-20(11-13-21)30-19-6-2-1-3-7-19)27-16-14-18(15-17-27)24-25-22-8-4-5-9-23(22)26-24;1-13-6-7-15(12-16(13)20)26(24,25)23-10-8-14(9-11-23)19-21-17-4-2-3-5-18(17)22-19;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/h2*3-11,16-17,21H,12-15,18H2,1-2H3,(H,29,30);2*3-12,17,21H,13-16,18H2,1-2H3,(H,29,30);1-13,18H,14-17H2,(H,25,26);2-7,12,14H,8-11H2,1H3,(H,21,22);2-9,15H,10-13H2,1H3,(H,20,21).

What are the key properties of bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?

bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole has a molecular weight of 2984.68 g/mol, XLogP of 33.86, 35 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 161212942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).