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

C11H9FN2O2S — CID 29063705

IUPAC2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nccn1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2S/c12-8-1-3-9(4-2-8)14-6-5-13-11(14)17-7-10(15)16/h1-6H,7H2,(H,15,16)
InChIKeyLWPZELFKZZRINF-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.19
Rot. Bonds4

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

2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid (PubChem CID 29063705) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
PubChem CID29063705
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nccn1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2S/c12-8-1-3-9(4-2-8)14-6-5-13-11(14)17-7-10(15)16/h1-6H,7H2,(H,15,16)
InChIKeyLWPZELFKZZRINF-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 82131580
2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063549
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
2-[1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62404177
2-[1-(3-chloro-5-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 107367987
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol
CID 82129775
2-[[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29065326
2-[1-(3,5-dimethoxyphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063465
2-[1-(3,4-dicyanophenyl)imidazol-2-yl]sulfanylacetic acid
CID 107791452
2-[1-(5-chloro-2-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 43438544
2-[1-(4-bromo-3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 107575719
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid (CID 29063705) is 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid is O=C(O)CSc1nccn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid?
The InChIKey is LWPZELFKZZRINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-8-1-3-9(4-2-8)14-6-5-13-11(14)17-7-10(15)16/h1-6H,7H2,(H,15,16).
What are the key properties of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid?
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.19, 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)imidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 29063705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).