[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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole)

C130H145N19O13S4 — CID 163683993

IUPAC[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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole)
SMILESCOc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1ccc(C)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.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C28H29N3O3.C26H32N4O2.4C19H21N3O2S/c1-19-7-9-20(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;31-26(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;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/h3-12,17,21H,13-16,18H2,1-2H3,(H,29,30);2-3,6-11,20H,1,4-5,12-19H2,(H,27,28);4*2-9,15H,10-13H2,1H3,(H,20,21)
InChIKeyJNFMDLKSKFHLJD-UHFFFAOYSA-N
MW2309.98 g/mol
LogP23.68
Rot. Bonds24

About [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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole) (PubChem CID 163683993) has the molecular formula C130H145N19O13S4 and a molecular weight of 2309.98 g/mol. Its IUPAC name is [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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole).

Molecular Properties

Compound Name[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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole)
PubChem CID163683993
Molecular FormulaC130H145N19O13S4
Molecular Weight2309.98 g/mol
Exact Mass2308.02
IUPAC Name[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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole)
SMILESCOc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1ccc(C)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.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C28H29N3O3.C26H32N4O2.4C19H21N3O2S/c1-19-7-9-20(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;31-26(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;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/h3-12,17,21H,13-16,18H2,1-2H3,(H,29,30);2-3,6-11,20H,1,4-5,12-19H2,(H,27,28);4*2-9,15H,10-13H2,1H3,(H,20,21)
InChIKeyJNFMDLKSKFHLJD-UHFFFAOYSA-N
XLogP23.68
TPSA393.15 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002309.98
LogP ≤ 523.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze [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;tetrakis(2-[1-(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-[[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
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
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole);2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 157291208
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole)
CID 157298123
[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
N-[3-[3-methyl-6-(morpholin-4-ylmethyl)-1H-benzimidazol-3-ium-2-yl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[1-methyl-6-(morpholin-4-ylmethyl)benzimidazol-2-yl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 158962220
[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

Frequently Asked Questions

What is the IUPAC name of [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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole)?
The IUPAC name of [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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole) (CID 163683993) is [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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole).
What is the SMILES notation for [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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole)?
The canonical SMILES for [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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole) is COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1ccc(C)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.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole)?
The InChIKey is JNFMDLKSKFHLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3.C26H32N4O2.4C19H21N3O2S/c1-19-7-9-20(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;31-26(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;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/h3-12,17,21H,13-16,18H2,1-2H3,(H,29,30);2-3,6-11,20H,1,4-5,12-19H2,(H,27,28);4*2-9,15H,10-13H2,1H3,(H,20,21).
What are the key properties of [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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole) has a molecular weight of 2309.98 g/mol, XLogP of 23.68, 24 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [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;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole) is sourced from PubChem (CID 163683993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).