2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol

C11H11FN2OS — CID 82129775

IUPAC2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol
SMILESOCCSc1nccn1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN2OS/c12-9-1-3-10(4-2-9)14-6-5-13-11(14)16-8-7-15/h1-6,15H,7-8H2
InChIKeySDRTVSJAXXCQNO-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.10
Rot. Bonds4

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

2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol (PubChem CID 82129775) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol
PubChem CID82129775
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol
SMILESOCCSc1nccn1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN2OS/c12-9-1-3-10(4-2-9)14-6-5-13-11(14)16-8-7-15/h1-6,15H,7-8H2
InChIKeySDRTVSJAXXCQNO-UHFFFAOYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol
CID 82129265
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063705
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 82131580
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole
CID 141278011
1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole
CID 1484823
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol
CID 47024738
2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16601553
2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063549
4-(1-phenylimidazol-2-yl)sulfanylbutanoic acid
CID 5233179
4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline
CID 168878323
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491
1-(4-fluorophenyl)imidazole-2-carbonitrile
CID 84660888

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol?
The IUPAC name of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol (CID 82129775) is 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol?
The canonical SMILES for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol is OCCSc1nccn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol?
The InChIKey is SDRTVSJAXXCQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-9-1-3-10(4-2-9)14-6-5-13-11(14)16-8-7-15/h1-6,15H,7-8H2.
What are the key properties of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol?
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol has a molecular weight of 238.29 g/mol, XLogP of 2.10, 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]sulfanylethanol is sourced from PubChem (CID 82129775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).