2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid

C12H11FN2O2S — CID 81337040

IUPAC2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
SMILESCc1cnc(SCC(=O)O)n1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2S/c1-8-6-14-12(18-7-11(16)17)15(8)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,16,17)
InChIKeyOFOLWRHLYOKZKS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.50
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid

2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid (PubChem CID 81337040) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
PubChem CID81337040
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
SMILESCc1cnc(SCC(=O)O)n1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2S/c1-8-6-14-12(18-7-11(16)17)15(8)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,16,17)
InChIKeyOFOLWRHLYOKZKS-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-cyanophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81337294
2-[1-(4-fluoro-2-methylphenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81336427
2-[1-(2-chloro-4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81337721
2-[1-(2-bromo-5-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 107638312
2-[1-(3-cyano-4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81336738
2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid
CID 115378965
2-[1-(3-methoxyphenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81336440
2-[1-[1-(4-fluorophenyl)propan-2-yl]-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81344735
3-(4-fluorophenyl)-2-[(2,3,6-trifluorophenyl)methylsulfanyl]imidazole-4-carboxylic acid
CID 71117327
2-[1-(4-bromo-2,6-dimethylphenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81343801
2-[1-(2-chlorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81337467
2-(1,5-dimethylimidazol-2-yl)sulfanylacetic acid
CID 81336663

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid (CID 81337040) is 2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid is Cc1cnc(SCC(=O)O)n1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid?
The InChIKey is OFOLWRHLYOKZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-8-6-14-12(18-7-11(16)17)15(8)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid?
2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid has a molecular weight of 266.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 81337040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).