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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

C166H177N19O17 — CID 161304975

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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
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.O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/5C28H29N3O3.C26H32N4O2/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;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/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);2-3,6-11,20H,1,4-5,12-19H2,(H,27,28)
InChIKeyVICXGNOKQONXBY-UHFFFAOYSA-N
MW2710.36 g/mol
LogP31.84
Rot. Bonds36

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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (PubChem CID 161304975) has the molecular formula C166H177N19O17 and a molecular weight of 2710.36 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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
PubChem CID161304975
Molecular FormulaC166H177N19O17
Molecular Weight2710.36 g/mol
Exact Mass2708.36
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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
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.O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/5C28H29N3O3.C26H32N4O2/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;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/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);2-3,6-11,20H,1,4-5,12-19H2,(H,27,28)
InChIKeyVICXGNOKQONXBY-UHFFFAOYSA-N
XLogP31.84
TPSA398.71 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002710.36
LogP ≤ 531.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone 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
1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine
CID 159178216
[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-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole
CID 161439202
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
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)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-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 173072905
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]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-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 173110980
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone
CID 142409923
N-[(2R)-2-(4,5-dimethyl-1H-imidazol-2-yl)-1-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;ethane;2-methyl-1H-benzimidazole
CID 145543337
4-[3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;methane;1-[(2S)-2-[8-methyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;4-[8-methyl-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[5-methyl-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 157077282
3-(1H-benzimidazol-2-yl)-N-[4-[[3-(1H-benzimidazol-2-yl)benzoyl]amino]phenyl]benzamide;6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]pyridine-2-carboxamide;3-(1,3-benzoxazol-2-yl)-N-[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]benzamide;6-(1,3-benzoxazol-2-yl)-N-[4-[[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]amino]phenyl]pyridine-2-carboxamide;[4-[3-(1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]-[3-(1,3-benzoxazol-2-yl)phenyl]methanone
CID 157139499
N-[3-[6-(methoxymethyl)-3-methyl-1H-benzimidazol-3-ium-2-yl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[6-(methoxymethyl)-1-methylbenzimidazol-2-yl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 157173761

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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (CID 161304975) 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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.
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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone 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.O=C(c1ccc(OCCN2CCCCC2)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);tris([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?
The InChIKey is VICXGNOKQONXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/5C28H29N3O3.C26H32N4O2/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;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/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);2-3,6-11,20H,1,4-5,12-19H2,(H,27,28).
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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone has a molecular weight of 2710.36 g/mol, XLogP of 31.84, 36 rotatable bonds, 6 hydrogen bond donors, and 24 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);[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 161304975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).