2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol

C17H16N2OS — CID 3057024

IUPAC2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol
SMILESOC(Cn1ccnc1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C17H16N2OS/c20-16(12-19-11-10-18-13-19)15-8-4-5-9-17(15)21-14-6-2-1-3-7-14/h1-11,13,16,20H,12H2
InChIKeyQJJACIDSXDZUKY-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.77
Rot. Bonds5

About 2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol

2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol (PubChem CID 3057024) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol
PubChem CID3057024
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol
SMILESOC(Cn1ccnc1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C17H16N2OS/c20-16(12-19-11-10-18-13-19)15-8-4-5-9-17(15)21-14-6-2-1-3-7-14/h1-11,13,16,20H,12H2
InChIKeyQJJACIDSXDZUKY-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.77
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-(2-phenylsulfanylphenyl)ethanol?
The IUPAC name of 2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol (CID 3057024) is 2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol?
The canonical SMILES for 2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol is OC(Cn1ccnc1)c1ccccc1Sc1ccccc1.
What is the InChIKey of 2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol?
The InChIKey is QJJACIDSXDZUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-16(12-19-11-10-18-13-19)15-8-4-5-9-17(15)21-14-6-2-1-3-7-14/h1-11,13,16,20H,12H2.
What are the key properties of 2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol?
2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanol has a molecular weight of 296.40 g/mol, XLogP of 3.77, 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-(2-phenylsulfanylphenyl)ethanol is sourced from PubChem (CID 3057024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).