1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione

C11H14N2OS — CID 21482924

IUPAC1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione
SMILESOC(CN1CCNC1=S)c1ccccc1
InChIInChI=1S/C11H14N2OS/c14-10(9-4-2-1-3-5-9)8-13-7-6-12-11(13)15/h1-5,10,14H,6-8H2,(H,12,15)
InChIKeyXMWPVRYTFYVMBG-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.91
Rot. Bonds3

About 1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione

1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione (PubChem CID 21482924) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione
PubChem CID21482924
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione
SMILESOC(CN1CCNC1=S)c1ccccc1
InChIInChI=1S/C11H14N2OS/c14-10(9-4-2-1-3-5-9)8-13-7-6-12-11(13)15/h1-5,10,14H,6-8H2,(H,12,15)
InChIKeyXMWPVRYTFYVMBG-UHFFFAOYSA-N
XLogP0.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one
CID 7189333
1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
CID 60886984
1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one
CID 95334948
4-(2-hydroxy-2-phenylethyl)morpholin-3-one
CID 79469635
2-(2,2-dimethylpiperazin-1-yl)-1-phenylethanol
CID 65461803
2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol
CID 82755402
4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one
CID 70380981
(5S)-5-tert-butyl-1-[(2S)-2-hydroxy-2-phenylethyl]azepan-2-one
CID 101253981
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
(1S)-2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-1-phenylethanol
CID 6943756
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione (CID 21482924) is 1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione is OC(CN1CCNC1=S)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione?
The InChIKey is XMWPVRYTFYVMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-10(9-4-2-1-3-5-9)8-13-7-6-12-11(13)15/h1-5,10,14H,6-8H2,(H,12,15).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione?
1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione has a molecular weight of 222.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione is sourced from PubChem (CID 21482924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).