4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid

C15H11FN2O3 — CID 142499867

IUPAC4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(-n3cnc(C4CC4)c3)c(F)ccc2o1
InChIInChI=1S/C15H11FN2O3/c16-10-3-4-12-9(5-13(21-12)15(19)20)14(10)18-6-11(17-7-18)8-1-2-8/h3-8H,1-2H2,(H,19,20)
InChIKeyOAYWEGFQNGCGSC-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.33
Rot. Bonds3

About 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid

4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid (PubChem CID 142499867) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid
PubChem CID142499867
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(-n3cnc(C4CC4)c3)c(F)ccc2o1
InChIInChI=1S/C15H11FN2O3/c16-10-3-4-12-9(5-13(21-12)15(19)20)14(10)18-6-11(17-7-18)8-1-2-8/h3-8H,1-2H2,(H,19,20)
InChIKeyOAYWEGFQNGCGSC-UHFFFAOYSA-N
XLogP3.33
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Cyclopropylimidazol-1-yl)-6-fluoro-1-benzofuran-2-carbonyl chloride
CID 142499831
4-(4-Fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid
CID 142499847
4-(4-Cyclopropylimidazol-1-yl)-3-(difluoromethyl)-1-benzofuran-2-carbonyl chloride
CID 142499854
Methyl 4-(4-cyclopropylimidazol-1-yl)-3-(difluoromethyl)-1-benzofuran-2-carboxylate
CID 142499864
4-(4-Fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride
CID 142499866
4-[4-(Trifluoromethyl)imidazol-1-yl]-1-benzofuran-2-carboxylic acid
CID 142499873
Methyl 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylate
CID 142499884
4-(4-Cyclopropylimidazol-1-yl)-3-(difluoromethyl)-1-benzofuran-2-carboxylic acid
CID 142499888
Ethyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylate
CID 142499912
4-(4-Cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride
CID 142499916
4-(4-Cyclopropylimidazol-1-yl)-6-fluoro-1-benzofuran-2-carboxylic acid
CID 142499927
Ethyl 4-(4-cyclopropylimidazol-1-yl)-6-fluoro-1-benzofuran-2-carboxylate
CID 142499954

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid (CID 142499867) is 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2c(-n3cnc(C4CC4)c3)c(F)ccc2o1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid?
The InChIKey is OAYWEGFQNGCGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-10-3-4-12-9(5-13(21-12)15(19)20)14(10)18-6-11(17-7-18)8-1-2-8/h3-8H,1-2H2,(H,19,20).
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid?
4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid has a molecular weight of 286.26 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 142499867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).