3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid

C11H9FN2O2 — CID 82472525

IUPAC3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid
SMILESCc1ncn(-c2cccc(F)c2)c1C(=O)O
InChIInChI=1S/C11H9FN2O2/c1-7-10(11(15)16)14(6-13-7)9-4-2-3-8(12)5-9/h2-6H,1H3,(H,15,16)
InChIKeyZFVWMJQZHPKYAK-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.02
Rot. Bonds2

About 3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid

3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid (PubChem CID 82472525) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid
PubChem CID82472525
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid
SMILESCc1ncn(-c2cccc(F)c2)c1C(=O)O
InChIInChI=1S/C11H9FN2O2/c1-7-10(11(15)16)14(6-13-7)9-4-2-3-8(12)5-9/h2-6H,1H3,(H,15,16)
InChIKeyZFVWMJQZHPKYAK-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
CID 82475767
1-(3-fluorophenyl)imidazole-2-carboxylic acid
CID 83882652
5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid
CID 82478418
5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
CID 82484395
1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
CID 82121582
1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid
CID 21418433
1-(3-fluorophenyl)pyrazole-3,4-dicarboxylic acid
CID 82131402
1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 170916889
3-(5-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
CID 82480997
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 84617796
2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid
CID 83896438
5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 115043942

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid (CID 82472525) is 3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid is Cc1ncn(-c2cccc(F)c2)c1C(=O)O.
What is the InChIKey of 3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid?
The InChIKey is ZFVWMJQZHPKYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-10(11(15)16)14(6-13-7)9-4-2-3-8(12)5-9/h2-6H,1H3,(H,15,16).
What are the key properties of 3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid?
3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 82472525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).