6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid

C15H12N2O3 — CID 142499862

IUPAC6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(-n3cnc(C4CC4)c3)cc2o1
InChIInChI=1S/C15H12N2O3/c18-15(19)14-5-10-3-4-11(6-13(10)20-14)17-7-12(16-8-17)9-1-2-9/h3-9H,1-2H2,(H,18,19)
InChIKeyZLKTWGNWPDLHFL-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.19
Rot. Bonds3

About 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid

6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid (PubChem CID 142499862) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid
PubChem CID142499862
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(-n3cnc(C4CC4)c3)cc2o1
InChIInChI=1S/C15H12N2O3/c18-15(19)14-5-10-3-4-11(6-13(10)20-14)17-7-12(16-8-17)9-1-2-9/h3-9H,1-2H2,(H,18,19)
InChIKeyZLKTWGNWPDLHFL-UHFFFAOYSA-N
XLogP3.19
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid (CID 142499862) is 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2ccc(-n3cnc(C4CC4)c3)cc2o1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid?
The InChIKey is ZLKTWGNWPDLHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(19)14-5-10-3-4-11(6-13(10)20-14)17-7-12(16-8-17)9-1-2-9/h3-9H,1-2H2,(H,18,19).
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid?
6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 142499862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).