2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid

C12H7ClN2O3 — CID 106688351

IUPAC2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccoc3Cl)nc12
InChIInChI=1S/C12H7ClN2O3/c13-10-7(4-5-18-10)11-14-8-3-1-2-6(12(16)17)9(8)15-11/h1-5H,(H,14,15)(H,16,17)
InChIKeyDAJLBAUFZVETEL-UHFFFAOYSA-N
MW262.65 g/mol
LogP3.17
Rot. Bonds2

About 2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid

2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 106688351) has the molecular formula C12H7ClN2O3 and a molecular weight of 262.65 g/mol. Its IUPAC name is 2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid
PubChem CID106688351
Molecular FormulaC12H7ClN2O3
Molecular Weight262.65 g/mol
Exact Mass262.01
IUPAC Name2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccoc3Cl)nc12
InChIInChI=1S/C12H7ClN2O3/c13-10-7(4-5-18-10)11-14-8-3-1-2-6(12(16)17)9(8)15-11/h1-5H,(H,14,15)(H,16,17)
InChIKeyDAJLBAUFZVETEL-UHFFFAOYSA-N
XLogP3.17
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.65
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-(3-methylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63030741
2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 106861840
2-(5-bromo-2-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 63399662
2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81477808
2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 79217954
2-(1H-pyrrol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 66984814
2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729
2-(2-bromo-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81111649
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442
2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylic acid
CID 55150088
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid (CID 106688351) is 2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3ccoc3Cl)nc12.
What is the InChIKey of 2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is DAJLBAUFZVETEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3/c13-10-7(4-5-18-10)11-14-8-3-1-2-6(12(16)17)9(8)15-11/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid?
2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 262.65 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 106688351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).