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

C11H9FN2O2 — CID 82079702

IUPAC5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
SMILESCc1cc(-c2cnc(C(=O)O)[nH]2)ccc1F
InChIInChI=1S/C11H9FN2O2/c1-6-4-7(2-3-8(6)12)9-5-13-10(14-9)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyIHKLPTUPTKYRAJ-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.22
Rot. Bonds2

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

5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid (PubChem CID 82079702) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
PubChem CID82079702
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
SMILESCc1cc(-c2cnc(C(=O)O)[nH]2)ccc1F
InChIInChI=1S/C11H9FN2O2/c1-6-4-7(2-3-8(6)12)9-5-13-10(14-9)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyIHKLPTUPTKYRAJ-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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Related Compounds

1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701
5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid
CID 116878561
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882769
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
CID 116883404
2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
CID 115031847
methyl (2S)-2-amino-2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]acetate
CID 102970522
[1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882008
5-(2-carboxy-1H-imidazol-5-yl)-1H-imidazole-2-carboxylic acid
CID 90717286
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid (CID 82079702) is 5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid is Cc1cc(-c2cnc(C(=O)O)[nH]2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid?
The InChIKey is IHKLPTUPTKYRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-6-4-7(2-3-8(6)12)9-5-13-10(14-9)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid?
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-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 5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 82079702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).