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

C11H9FN2O2 — CID 62252489

IUPAC2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid
SMILESCc1ccc(-c2ncc(C(=O)O)[nH]2)cc1F
InChIInChI=1S/C11H9FN2O2/c1-6-2-3-7(4-8(6)12)10-13-5-9(14-10)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyMQWHSLWEOODUCY-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.22
Rot. Bonds2

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

2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 62252489) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid
PubChem CID62252489
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid
SMILESCc1ccc(-c2ncc(C(=O)O)[nH]2)cc1F
InChIInChI=1S/C11H9FN2O2/c1-6-2-3-7(4-8(6)12)10-13-5-9(14-10)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyMQWHSLWEOODUCY-UHFFFAOYSA-N
XLogP2.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid (CID 62252489) is 2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid is Cc1ccc(-c2ncc(C(=O)O)[nH]2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is MQWHSLWEOODUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-6-2-3-7(4-8(6)12)10-13-5-9(14-10)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid?
2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 62252489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).