4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid

C8H4ClFN2O2 — CID 177022077

IUPAC4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2c(Cl)c(F)ccc2[nH]1
InChIInChI=1S/C8H4ClFN2O2/c9-5-3(10)1-2-4-6(5)12-7(11-4)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyZHWGKTKZYBINQH-UHFFFAOYSA-N
MW214.58 g/mol
LogP2.05
Rot. Bonds1

About 4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid

4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid (PubChem CID 177022077) has the molecular formula C8H4ClFN2O2 and a molecular weight of 214.58 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid
PubChem CID177022077
Molecular FormulaC8H4ClFN2O2
Molecular Weight214.58 g/mol
Exact Mass213.99
IUPAC Name4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2c(Cl)c(F)ccc2[nH]1
InChIInChI=1S/C8H4ClFN2O2/c9-5-3(10)1-2-4-6(5)12-7(11-4)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyZHWGKTKZYBINQH-UHFFFAOYSA-N
XLogP2.05
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.58
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid?
The IUPAC name of 4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid (CID 177022077) is 4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid?
The canonical SMILES for 4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid is O=C(O)c1nc2c(Cl)c(F)ccc2[nH]1.
What is the InChIKey of 4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid?
The InChIKey is ZHWGKTKZYBINQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O2/c9-5-3(10)1-2-4-6(5)12-7(11-4)8(13)14/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid?
4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid has a molecular weight of 214.58 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid is sourced from PubChem (CID 177022077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).