2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride

C17H17ClN2OS — CID 3057025

IUPAC2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride
SMILESCl.OC(Cn1ccnc1)c1cccc(Sc2ccccc2)c1
InChIInChI=1S/C17H16N2OS.ClH/c20-17(12-19-10-9-18-13-19)14-5-4-8-16(11-14)21-15-6-2-1-3-7-15;/h1-11,13,17,20H,12H2;1H
InChIKeyZKKCWWWDLASCOR-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.19
Rot. Bonds5

About 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride

2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride (PubChem CID 3057025) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride
PubChem CID3057025
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride
SMILESCl.OC(Cn1ccnc1)c1cccc(Sc2ccccc2)c1
InChIInChI=1S/C17H16N2OS.ClH/c20-17(12-19-10-9-18-13-19)14-5-4-8-16(11-14)21-15-6-2-1-3-7-15;/h1-11,13,17,20H,12H2;1H
InChIKeyZKKCWWWDLASCOR-UHFFFAOYSA-N
XLogP4.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride 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 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride (CID 3057025) is 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride is Cl.OC(Cn1ccnc1)c1cccc(Sc2ccccc2)c1.
What is the InChIKey of 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride?
The InChIKey is ZKKCWWWDLASCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS.ClH/c20-17(12-19-10-9-18-13-19)14-5-4-8-16(11-14)21-15-6-2-1-3-7-15;/h1-11,13,17,20H,12H2;1H.
What are the key properties of 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride?
2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol;hydrochloride has a molecular weight of 332.86 g/mol, XLogP of 4.19, 5 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-(3-phenylsulfanylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 3057025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).