2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid

C14H11FN2O3 — CID 103436113

IUPAC2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
SMILESCCc1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)o1
InChIInChI=1S/C14H11FN2O3/c1-2-8-3-4-11(20-8)13-16-10-6-7(15)5-9(14(18)19)12(10)17-13/h3-6H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyISTGXHQMPSXNKN-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.22
Rot. Bonds3

About 2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid

2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid (PubChem CID 103436113) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
PubChem CID103436113
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
SMILESCCc1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)o1
InChIInChI=1S/C14H11FN2O3/c1-2-8-3-4-11(20-8)13-16-10-6-7(15)5-9(14(18)19)12(10)17-13/h3-6H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyISTGXHQMPSXNKN-UHFFFAOYSA-N
XLogP3.22
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 79093987
2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435917
6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 136948243
6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436255
2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436100
2-(4-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436111
6-fluoro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 103435877
2-(5-bromo-2-chlorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435950
6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436055
6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid
CID 103436025

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid (CID 103436113) is 2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid is CCc1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The InChIKey is ISTGXHQMPSXNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-2-8-3-4-11(20-8)13-16-10-6-7(15)5-9(14(18)19)12(10)17-13/h3-6H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid has a molecular weight of 274.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 103436113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).