2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid

C12H6ClFN2O2S — CID 113398074

IUPAC2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)s3)[nH]c2cc1F
InChIInChI=1S/C12H6ClFN2O2S/c13-10-2-1-9(19-10)11-15-7-3-5(12(17)18)6(14)4-8(7)16-11/h1-4H,(H,15,16)(H,17,18)
InChIKeyCAJALKJBYOMTKC-UHFFFAOYSA-N
MW296.71 g/mol
LogP3.78
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid

2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid (PubChem CID 113398074) has the molecular formula C12H6ClFN2O2S and a molecular weight of 296.71 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
PubChem CID113398074
Molecular FormulaC12H6ClFN2O2S
Molecular Weight296.71 g/mol
Exact Mass295.98
IUPAC Name2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)s3)[nH]c2cc1F
InChIInChI=1S/C12H6ClFN2O2S/c13-10-2-1-9(19-10)11-15-7-3-5(12(17)18)6(14)4-8(7)16-11/h1-4H,(H,15,16)(H,17,18)
InChIKeyCAJALKJBYOMTKC-UHFFFAOYSA-N
XLogP3.78
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid (CID 113398074) is 2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)s3)[nH]c2cc1F.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
The InChIKey is CAJALKJBYOMTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2O2S/c13-10-2-1-9(19-10)11-15-7-3-5(12(17)18)6(14)4-8(7)16-11/h1-4H,(H,15,16)(H,17,18).
What are the key properties of 2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid has a molecular weight of 296.71 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 113398074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).