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

C14H12N2O3 — CID 79093987

IUPAC2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCCc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)o1
InChIInChI=1S/C14H12N2O3/c1-2-8-6-7-11(19-8)13-15-10-5-3-4-9(14(17)18)12(10)16-13/h3-7H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyWXORUGMQPASUNW-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.08
Rot. Bonds3

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

2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 79093987) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
PubChem CID79093987
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCCc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)o1
InChIInChI=1S/C14H12N2O3/c1-2-8-6-7-11(19-8)13-15-10-5-3-4-9(14(17)18)12(10)16-13/h3-7H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyWXORUGMQPASUNW-UHFFFAOYSA-N
XLogP3.08
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid (CID 79093987) is 2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid is CCc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is WXORUGMQPASUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-8-6-7-11(19-8)13-15-10-5-3-4-9(14(17)18)12(10)16-13/h3-7H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid?
2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 3.08, 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)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 79093987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).