2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid

C13H9FN2O2S2 — CID 66351948

IUPAC2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2c(F)cccc2n1-c1ccsc1
InChIInChI=1S/C13H9FN2O2S2/c14-9-2-1-3-10-12(9)15-13(20-7-11(17)18)16(10)8-4-5-19-6-8/h1-6H,7H2,(H,17,18)
InChIKeyQALNXGBHSGHTGH-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.40
Rot. Bonds4

About 2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid

2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 66351948) has the molecular formula C13H9FN2O2S2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID66351948
Molecular FormulaC13H9FN2O2S2
Molecular Weight308.36 g/mol
Exact Mass308.01
IUPAC Name2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2c(F)cccc2n1-c1ccsc1
InChIInChI=1S/C13H9FN2O2S2/c14-9-2-1-3-10-12(9)15-13(20-7-11(17)18)16(10)8-4-5-19-6-8/h1-6H,7H2,(H,17,18)
InChIKeyQALNXGBHSGHTGH-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid (CID 66351948) is 2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2c(F)cccc2n1-c1ccsc1.
What is the InChIKey of 2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is QALNXGBHSGHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S2/c14-9-2-1-3-10-12(9)15-13(20-7-11(17)18)16(10)8-4-5-19-6-8/h1-6H,7H2,(H,17,18).
What are the key properties of 2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 308.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 66351948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).