(1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol

C12H14N2OS — CID 78951902

IUPAC(1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2nccn2C)cc1
InChIInChI=1S/C12H14N2OS/c1-9(15)10-3-5-11(6-4-10)16-12-13-7-8-14(12)2/h3-9,15H,1-2H3/t9-/m1/s1
InChIKeyGDKIFMCHJUEFKB-SECBINFHSA-N
MW234.32 g/mol
LogP2.62
Rot. Bonds3

About (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol

(1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol (PubChem CID 78951902) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol
PubChem CID78951902
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2nccn2C)cc1
InChIInChI=1S/C12H14N2OS/c1-9(15)10-3-5-11(6-4-10)16-12-13-7-8-14(12)2/h3-9,15H,1-2H3/t9-/m1/s1
InChIKeyGDKIFMCHJUEFKB-SECBINFHSA-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

Analyze (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol (CID 78951902) is (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol is C[C@@H](O)c1ccc(Sc2nccn2C)cc1.
What is the InChIKey of (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol?
The InChIKey is GDKIFMCHJUEFKB-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9(15)10-3-5-11(6-4-10)16-12-13-7-8-14(12)2/h3-9,15H,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol?
(1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]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 (1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 78951902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).