bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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

C159H165FN18O17S — CID 157242203

IUPACbis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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
SMILESCOc1cc(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)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)cc1F
InChIInChI=1S/5C28H29N3O3.C19H20FN3O2S/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;3*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;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/h2*3-11,16-17,21H,12-15,18H2,1-2H3,(H,29,30);3*3-12,17,21H,13-16,18H2,1-2H3,(H,29,30);2-7,12,14H,8-11H2,1H3,(H,21,22)
InChIKeyAVINROADENWKRL-UHFFFAOYSA-N
MW2651.24 g/mol
LogP30.97
Rot. Bonds33

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

bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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 (PubChem CID 157242203) has the molecular formula C159H165FN18O17S and a molecular weight of 2651.24 g/mol. Its IUPAC name is bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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.

Molecular Properties

Compound Namebis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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
PubChem CID157242203
Molecular FormulaC159H165FN18O17S
Molecular Weight2651.24 g/mol
Exact Mass2649.23
IUPAC Namebis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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
SMILESCOc1cc(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)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)cc1F
InChIInChI=1S/5C28H29N3O3.C19H20FN3O2S/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;3*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;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/h2*3-11,16-17,21H,12-15,18H2,1-2H3,(H,29,30);3*3-12,17,21H,13-16,18H2,1-2H3,(H,29,30);2-7,12,14H,8-11H2,1H3,(H,21,22)
InChIKeyAVINROADENWKRL-UHFFFAOYSA-N
XLogP30.97
TPSA403.31 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002651.24
LogP ≤ 530.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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 with MolForge

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 157305679
[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]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-[4-(trifluoromethoxy)phenyl]phenyl]methanone
CID 160646928
4-[[4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-methoxyphenoxy]methyl]benzonitrile;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 161884473
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;[4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone;(3-fluoro-4-methoxyphenyl)-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3-fluoro-4-methoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 157214047
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 158247271
[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-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 159601110
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;[4-(cyclopropylmethoxy)-3-fluorophenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(2-methoxyethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3-fluoro-4-methoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
CID 159747414
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone;[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 159911715
[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 160382396
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
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

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);tris([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?
The IUPAC name of bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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 (CID 157242203) is bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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.
What is the SMILES notation for bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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?
The canonical SMILES for bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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 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)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)cc1F.
What is the InChIKey of bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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?
The InChIKey is AVINROADENWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C28H29N3O3.C19H20FN3O2S/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;3*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;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/h2*3-11,16-17,21H,12-15,18H2,1-2H3,(H,29,30);3*3-12,17,21H,13-16,18H2,1-2H3,(H,29,30);2-7,12,14H,8-11H2,1H3,(H,21,22).
What are the key properties of bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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?
bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([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 has a molecular weight of 2651.24 g/mol, XLogP of 30.97, 33 rotatable bonds, 6 hydrogen bond donors, and 23 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);tris([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 is sourced from PubChem (CID 157242203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).