2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol

C12H14N2OS — CID 3057197

IUPAC2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C12H14N2OS/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3
InChIKeyUXPKQVHJINQFMF-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.34
Rot. Bonds4

About 2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol

2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol (PubChem CID 3057197) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol
PubChem CID3057197
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C12H14N2OS/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3
InChIKeyUXPKQVHJINQFMF-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol (CID 3057197) is 2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol is CSc1ccc(C(O)Cn2ccnc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol?
The InChIKey is UXPKQVHJINQFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol?
2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol has a molecular weight of 234.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 3057197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).