2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid

C19H13FN2O4 — CID 142773481

IUPAC2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid
SMILESCOc1cc2c(C(=O)O)c(-c3ccc(F)cc3)oc2cc1-c1ncc[nH]1
InChIInChI=1S/C19H13FN2O4/c1-25-14-8-12-15(9-13(14)18-21-6-7-22-18)26-17(16(12)19(23)24)10-2-4-11(20)5-3-10/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKeyIBQSYQJUWJACPJ-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.34
Rot. Bonds4

About 2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid

2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid (PubChem CID 142773481) has the molecular formula C19H13FN2O4 and a molecular weight of 352.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid
PubChem CID142773481
Molecular FormulaC19H13FN2O4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid
SMILESCOc1cc2c(C(=O)O)c(-c3ccc(F)cc3)oc2cc1-c1ncc[nH]1
InChIInChI=1S/C19H13FN2O4/c1-25-14-8-12-15(9-13(14)18-21-6-7-22-18)26-17(16(12)19(23)24)10-2-4-11(20)5-3-10/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKeyIBQSYQJUWJACPJ-UHFFFAOYSA-N
XLogP4.34
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-5-methoxy-6-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-1-benzofuran-3-carboxylic acid
CID 142773413
2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-methoxy-1-benzofuran-3-carboxylic acid
CID 91485078
2-(4-fluorophenyl)-5-propan-2-yloxy-6-pyridin-3-yl-1-benzofuran-3-carboxylic acid
CID 142773646
6-(diethylamino)-5-ethoxy-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773431
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
6-acetyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 149158318
methyl 2-(4-fluorophenyl)-5-methoxy-6-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzofuran-3-carboxylate
CID 68684289
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide
CID 10474183
2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773595
6-[cyclopropylmethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylic acid
CID 142778359
6-(1,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773499

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid (CID 142773481) is 2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid is COc1cc2c(C(=O)O)c(-c3ccc(F)cc3)oc2cc1-c1ncc[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid?
The InChIKey is IBQSYQJUWJACPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4/c1-25-14-8-12-15(9-13(14)18-21-6-7-22-18)26-17(16(12)19(23)24)10-2-4-11(20)5-3-10/h2-9H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid?
2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid has a molecular weight of 352.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 142773481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).