3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

C80H87Cl2F3N12O9S3 — CID 158668943

IUPAC3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESC.C.CC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.CC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C27H27F3N4O3S.C26H27ClN4O3S.C25H25ClN4O3S.2CH4/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17;1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17;1-15(18-4-2-3-5-19(18)26)32-22-13-23(34-24(22)25(27)31)30-14-29-20-7-6-17(12-21(20)30)33-16-8-10-28-11-9-16;;/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35);3-8,13-17H,9-12H2,1-2H3,(H2,28,32);2-7,12-16,28H,8-11H2,1H3,(H2,27,31);2*1H4
InChIKeyIDSDTKYBZRDQFS-UHFFFAOYSA-N
MW1584.75 g/mol
LogP17.65
Rot. Bonds21

About 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 158668943) has the molecular formula C80H87Cl2F3N12O9S3 and a molecular weight of 1584.75 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
PubChem CID158668943
Molecular FormulaC80H87Cl2F3N12O9S3
Molecular Weight1584.75 g/mol
Exact Mass1582.52
IUPAC Name3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESC.C.CC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.CC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C27H27F3N4O3S.C26H27ClN4O3S.C25H25ClN4O3S.2CH4/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17;1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17;1-15(18-4-2-3-5-19(18)26)32-22-13-23(34-24(22)25(27)31)30-14-29-20-7-6-17(12-21(20)30)33-16-8-10-28-11-9-16;;/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35);3-8,13-17H,9-12H2,1-2H3,(H2,28,32);2-7,12-16,28H,8-11H2,1H3,(H2,27,31);2*1H4
InChIKeyIDSDTKYBZRDQFS-UHFFFAOYSA-N
XLogP17.65
TPSA256.62 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001584.75
LogP ≤ 517.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide with MolForge

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Related Compounds

3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 25263118
5-[6-(4-Piperidinyloxy)-1H-benzimidazol-1-yl]-3-({(1R)-1-[2-(trifluoromethyl)phenyl]ethyl}oxy)-2-thiophenecarboxamide
CID 16050921
5-{6-[(1-Methylpiperidin-4-Yl)oxy]-1h-Benzimidazol-1-Yl}-3-{(1r)-1-[2-(Trifluoromethyl)phenyl]ethoxy}thiophene-2-Carboxamide
CID 16050925
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide
CID 16051023
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[3-(dimethylamino)propoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide
CID 25263121
5-{6-[(1-methylpiperidin-4-yl)methoxy]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 25263123
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(1-methylpiperidin-4-yl)methoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide
CID 25263124
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-{[(4S)-1-methylazepan-4-yl]oxy}-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 25263125
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-{[(4R)-1-methylazepan-4-yl]oxy}-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 25263126
5-{6-[(1-Methylpiperidin-4-Yl)oxy]-1h-Benzimidazol-1-Yl}-3-{[2-(Trifluoromethyl)benzyl]oxy}thiophene-2-Carboxamide
CID 50990893
GSK461364analogueII
CID 53318794
3-[1-(2-Chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide
CID 53338697

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 158668943) is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is C.C.CC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.CC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The InChIKey is IDSDTKYBZRDQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O3S.C26H27ClN4O3S.C25H25ClN4O3S.2CH4/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17;1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17;1-15(18-4-2-3-5-19(18)26)32-22-13-23(34-24(22)25(27)31)30-14-29-20-7-6-17(12-21(20)30)33-16-8-10-28-11-9-16;;/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35);3-8,13-17H,9-12H2,1-2H3,(H2,28,32);2-7,12-16,28H,8-11H2,1H3,(H2,27,31);2*1H4.
What are the key properties of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 1584.75 g/mol, XLogP of 17.65, 21 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;methane;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 158668943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).