5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

C26H25F3N4O3S — CID 56657583

IUPAC5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESCC(Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C26H25F3N4O3S/c1-15(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/h2-7,12-16,31H,8-11H2,1H3,(H2,30,34)
InChIKeySLGRRBVHGIPHNQ-UHFFFAOYSA-N
MW530.57 g/mol
LogP5.48
Rot. Bonds7

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

5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 56657583) has the molecular formula C26H25F3N4O3S and a molecular weight of 530.57 g/mol. Its IUPAC name is 5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
PubChem CID56657583
Molecular FormulaC26H25F3N4O3S
Molecular Weight530.57 g/mol
Exact Mass530.16
IUPAC Name5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESCC(Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C26H25F3N4O3S/c1-15(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/h2-7,12-16,31H,8-11H2,1H3,(H2,30,34)
InChIKeySLGRRBVHGIPHNQ-UHFFFAOYSA-N
XLogP5.48
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.57
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 56657583) is 5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is CC(Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The InChIKey is SLGRRBVHGIPHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3S/c1-15(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/h2-7,12-16,31H,8-11H2,1H3,(H2,30,34).
What are the key properties of 5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 530.57 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 56657583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).