1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol

C11H11FN2OS — CID 107783375

IUPAC1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1Sc1ncc[nH]1
InChIInChI=1S/C11H11FN2OS/c1-7(15)9-6-8(12)2-3-10(9)16-11-13-4-5-14-11/h2-7,15H,1H3,(H,13,14)
InChIKeyRIWPPONEJQZFND-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.75
Rot. Bonds3

About 1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol

1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol (PubChem CID 107783375) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
PubChem CID107783375
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1Sc1ncc[nH]1
InChIInChI=1S/C11H11FN2OS/c1-7(15)9-6-8(12)2-3-10(9)16-11-13-4-5-14-11/h2-7,15H,1H3,(H,13,14)
InChIKeyRIWPPONEJQZFND-UHFFFAOYSA-N
XLogP2.75
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 63814474
1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 63834992
1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
CID 107783372
1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol
CID 63835700
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
(1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 78951688
N-[[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 114001114
1-(2,4-difluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
CID 113244398
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
3-(difluoromethyl)-4-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779324
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
CID 103705487
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol (CID 107783375) is 1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol is CC(O)c1cc(F)ccc1Sc1ncc[nH]1.
What is the InChIKey of 1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol?
The InChIKey is RIWPPONEJQZFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-7(15)9-6-8(12)2-3-10(9)16-11-13-4-5-14-11/h2-7,15H,1H3,(H,13,14).
What are the key properties of 1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol?
1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol has a molecular weight of 238.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 107783375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).