1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol

C12H14N2OS — CID 58958474

IUPAC1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol
SMILESCC(O)c1cnc(Sc2ccccc2)n1C
InChIInChI=1S/C12H14N2OS/c1-9(15)11-8-13-12(14(11)2)16-10-6-4-3-5-7-10/h3-9,15H,1-2H3
InChIKeyOCWJMSUVHRHMAB-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.62
Rot. Bonds3

About 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol

1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol (PubChem CID 58958474) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol
PubChem CID58958474
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol
SMILESCC(O)c1cnc(Sc2ccccc2)n1C
InChIInChI=1S/C12H14N2OS/c1-9(15)11-8-13-12(14(11)2)16-10-6-4-3-5-7-10/h3-9,15H,1-2H3
InChIKeyOCWJMSUVHRHMAB-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol?
The IUPAC name of 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol (CID 58958474) is 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol?
The canonical SMILES for 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol is CC(O)c1cnc(Sc2ccccc2)n1C.
What is the InChIKey of 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol?
The InChIKey is OCWJMSUVHRHMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9(15)11-8-13-12(14(11)2)16-10-6-4-3-5-7-10/h3-9,15H,1-2H3.
What are the key properties of 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol?
1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol has a molecular weight of 234.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)ethanol is sourced from PubChem (CID 58958474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).