5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

C20H14F3N3O2S — CID 10409707

IUPAC5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F3N3O2S/c21-20(22,23)13-6-2-1-5-12(13)10-28-16-9-17(29-18(16)19(24)27)26-11-25-14-7-3-4-8-15(14)26/h1-9,11H,10H2,(H2,24,27)
InChIKeyITAJXWHXKVYGCF-UHFFFAOYSA-N
MW417.41 g/mol
LogP4.78
Rot. Bonds5

About 5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 10409707) has the molecular formula C20H14F3N3O2S and a molecular weight of 417.41 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID10409707
Molecular FormulaC20H14F3N3O2S
Molecular Weight417.41 g/mol
Exact Mass417.08
IUPAC Name5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F3N3O2S/c21-20(22,23)13-6-2-1-5-12(13)10-28-16-9-17(29-18(16)19(24)27)26-11-25-14-7-3-4-8-15(14)26/h1-9,11H,10H2,(H2,24,27)
InChIKeyITAJXWHXKVYGCF-UHFFFAOYSA-N
XLogP4.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (CID 10409707) is 5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is ITAJXWHXKVYGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2S/c21-20(22,23)13-6-2-1-5-12(13)10-28-16-9-17(29-18(16)19(24)27)26-11-25-14-7-3-4-8-15(14)26/h1-9,11H,10H2,(H2,24,27).
What are the key properties of 5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 10409707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).