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

C104H104Cl2F6N16O12S4 — CID 158326801

IUPAC3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl.C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C27H27F3N4O3S.C26H27ClN4O3S.C26H25F3N4O3S.C25H25ClN4O3S/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(27,28)29)35-22-13-23(37-24(22)25(30)34)33-14-32-20-7-6-17(12-21(20)33)36-16-8-10-31-11-9-16;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);2-7,12-16,31H,8-11H2,1H3,(H2,30,34);2-7,12-16,28H,8-11H2,1H3,(H2,27,31)/t2*16-;2*15-/m1111/s1
InChIKeyGPMVSFRTSCCDPU-YHCMLDBPSA-N
MW2083.24 g/mol
LogP21.86
Rot. Bonds28

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

3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 158326801) has the molecular formula C104H104Cl2F6N16O12S4 and a molecular weight of 2083.24 g/mol. Its IUPAC name is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
PubChem CID158326801
Molecular FormulaC104H104Cl2F6N16O12S4
Molecular Weight2083.24 g/mol
Exact Mass2080.62
IUPAC Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl.C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C27H27F3N4O3S.C26H27ClN4O3S.C26H25F3N4O3S.C25H25ClN4O3S/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(27,28)29)35-22-13-23(37-24(22)25(30)34)33-14-32-20-7-6-17(12-21(20)33)36-16-8-10-31-11-9-16;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);2-7,12-16,31H,8-11H2,1H3,(H2,30,34);2-7,12-16,28H,8-11H2,1H3,(H2,27,31)/t2*16-;2*15-/m1111/s1
InChIKeyGPMVSFRTSCCDPU-YHCMLDBPSA-N
XLogP21.86
TPSA348.02 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002083.24
LogP ≤ 521.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

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

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Related Compounds

5-[6-(4-Piperidinyloxy)-1H-benzimidazol-1-yl]-3-({(1R)-1-[2-(trifluoromethyl)phenyl]ethyl}oxy)-2-thiophenecarboxamide
CID 16050921
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-[(1-methylpiperidin-4-yl)methoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide
CID 25263124
3-[1-(2-Chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide
CID 53338697
5-[6-(Piperidin-4-ylmethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide;hydrochloride
CID 44528495
3-[1-(2-Chlorophenyl)ethoxy]-5-[6-[(1-methylpiperidin-4-yl)methoxy]benzimidazol-1-yl]thiophene-2-carboxamide
CID 53338699
5-[6-(1-methylpiperidin-1-ium-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 72199578
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[(3S)-pyrrolidin-3-yl]oxybenzimidazol-1-yl]thiophene-2-carboxamide
CID 91800764
3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-[5-(trifluoromethoxy)benzimidazol-1-yl]thiophene-2-carboxamide
CID 24829528
3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-[6-(trifluoromethoxy)benzimidazol-1-yl]thiophene-2-carboxamide
CID 24829531
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CID 69273419

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 158326801) is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl.C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The InChIKey is GPMVSFRTSCCDPU-YHCMLDBPSA-N. The full InChI is InChI=1S/C27H27F3N4O3S.C26H27ClN4O3S.C26H25F3N4O3S.C25H25ClN4O3S/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(27,28)29)35-22-13-23(37-24(22)25(30)34)33-14-32-20-7-6-17(12-21(20)33)36-16-8-10-31-11-9-16;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);2-7,12-16,31H,8-11H2,1H3,(H2,30,34);2-7,12-16,28H,8-11H2,1H3,(H2,27,31)/t2*16-;2*15-/m1111/s1.
What are the key properties of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 2083.24 g/mol, XLogP of 21.86, 28 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide;3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-piperidin-4-yloxybenzimidazol-1-yl)thiophene-2-carboxamide;5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 158326801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).