5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide

C20H14F3N3O3S — CID 25330932

IUPAC5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)s1
InChIInChI=1S/C20H14F3N3O3S/c1-11(27)16-6-7-17(30-16)18(28)25-19-24-14-9-12(20(21,22)23)4-5-15(14)26(19)10-13-3-2-8-29-13/h2-9H,10H2,1H3,(H,24,25,28)
InChIKeyMFFSFLJLXXAXGW-UHFFFAOYSA-N
MW433.41 g/mol
LogP5.21
Rot. Bonds5

About 5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide

5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 25330932) has the molecular formula C20H14F3N3O3S and a molecular weight of 433.41 g/mol. Its IUPAC name is 5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID25330932
Molecular FormulaC20H14F3N3O3S
Molecular Weight433.41 g/mol
Exact Mass433.07
IUPAC Name5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)s1
InChIInChI=1S/C20H14F3N3O3S/c1-11(27)16-6-7-17(30-16)18(28)25-19-24-14-9-12(20(21,22)23)4-5-15(14)26(19)10-13-3-2-8-29-13/h2-9H,10H2,1H3,(H,24,25,28)
InChIKeyMFFSFLJLXXAXGW-UHFFFAOYSA-N
XLogP5.21
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide (CID 25330932) is 5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)s1.
What is the InChIKey of 5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is MFFSFLJLXXAXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S/c1-11(27)16-6-7-17(30-16)18(28)25-19-24-14-9-12(20(21,22)23)4-5-15(14)26(19)10-13-3-2-8-29-13/h2-9H,10H2,1H3,(H,24,25,28).
What are the key properties of 5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 433.41 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 25330932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).