7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid

C12H7FN2O2S — CID 58381454

IUPAC7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1ccc(F)c2nc(-c3cccs3)[nH]c12
InChIInChI=1S/C12H7FN2O2S/c13-7-4-3-6(12(16)17)9-10(7)15-11(14-9)8-2-1-5-18-8/h1-5H,(H,14,15)(H,16,17)
InChIKeyXVSGAPXSUQKKQJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.13
Rot. Bonds2

About 7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid

7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid (PubChem CID 58381454) has the molecular formula C12H7FN2O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid
PubChem CID58381454
Molecular FormulaC12H7FN2O2S
Molecular Weight262.26 g/mol
Exact Mass262.02
IUPAC Name7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1ccc(F)c2nc(-c3cccs3)[nH]c12
InChIInChI=1S/C12H7FN2O2S/c13-7-4-3-6(12(16)17)9-10(7)15-11(14-9)8-2-1-5-18-8/h1-5H,(H,14,15)(H,16,17)
InChIKeyXVSGAPXSUQKKQJ-UHFFFAOYSA-N
XLogP3.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid (CID 58381454) is 7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid is O=C(O)c1ccc(F)c2nc(-c3cccs3)[nH]c12.
What is the InChIKey of 7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid?
The InChIKey is XVSGAPXSUQKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-7-4-3-6(12(16)17)9-10(7)15-11(14-9)8-2-1-5-18-8/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid?
7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-thiophen-2-yl-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 58381454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).