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

C22H18F3N3O3S — CID 53338692

IUPAC5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESCOc1ccc2ncn(-c3cc(OC(C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1
InChIInChI=1S/C22H18F3N3O3S/c1-12(14-5-3-4-6-15(14)22(23,24)25)31-18-10-19(32-20(18)21(26)29)28-11-27-16-8-7-13(30-2)9-17(16)28/h3-12H,1-2H3,(H2,26,29)
InChIKeyCVLJBLIMHPEZJC-UHFFFAOYSA-N
MW461.47 g/mol
LogP5.35
Rot. Bonds6

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

5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 53338692) has the molecular formula C22H18F3N3O3S and a molecular weight of 461.47 g/mol. Its IUPAC name is 5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
PubChem CID53338692
Molecular FormulaC22H18F3N3O3S
Molecular Weight461.47 g/mol
Exact Mass461.10
IUPAC Name5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESCOc1ccc2ncn(-c3cc(OC(C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1
InChIInChI=1S/C22H18F3N3O3S/c1-12(14-5-3-4-6-15(14)22(23,24)25)31-18-10-19(32-20(18)21(26)29)28-11-27-16-8-7-13(30-2)9-17(16)28/h3-12H,1-2H3,(H2,26,29)
InChIKeyCVLJBLIMHPEZJC-UHFFFAOYSA-N
XLogP5.35
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.47
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 53338692) is 5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is COc1ccc2ncn(-c3cc(OC(C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1.
What is the InChIKey of 5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The InChIKey is CVLJBLIMHPEZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3S/c1-12(14-5-3-4-6-15(14)22(23,24)25)31-18-10-19(32-20(18)21(26)29)28-11-27-16-8-7-13(30-2)9-17(16)28/h3-12H,1-2H3,(H2,26,29).
What are the key properties of 5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 461.47 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 53338692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).