2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid

C11H9FN2O3 — CID 69040230

IUPAC2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1cc(-c2ncc(C(=O)O)[nH]2)ccc1F
InChIInChI=1S/C11H9FN2O3/c1-17-9-4-6(2-3-7(9)12)10-13-5-8(14-10)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyIZMDHCDAWCYXHY-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.92
Rot. Bonds3

About 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid

2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 69040230) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
PubChem CID69040230
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1cc(-c2ncc(C(=O)O)[nH]2)ccc1F
InChIInChI=1S/C11H9FN2O3/c1-17-9-4-6(2-3-7(9)12)10-13-5-8(14-10)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyIZMDHCDAWCYXHY-UHFFFAOYSA-N
XLogP1.92
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid (CID 69040230) is 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid is COc1cc(-c2ncc(C(=O)O)[nH]2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is IZMDHCDAWCYXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-17-9-4-6(2-3-7(9)12)10-13-5-8(14-10)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 236.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 69040230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).