1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one

C12H16N2O2S — CID 66348731

IUPAC1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCSc1cccc(CO)c1
InChIInChI=1S/C12H16N2O2S/c15-9-10-2-1-3-11(8-10)17-7-6-14-5-4-13-12(14)16/h1-3,8,15H,4-7,9H2,(H,13,16)
InChIKeyRBRBXJSXNJDLIF-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.30
Rot. Bonds5

About 1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one

1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one (PubChem CID 66348731) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one
PubChem CID66348731
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCSc1cccc(CO)c1
InChIInChI=1S/C12H16N2O2S/c15-9-10-2-1-3-11(8-10)17-7-6-14-5-4-13-12(14)16/h1-3,8,15H,4-7,9H2,(H,13,16)
InChIKeyRBRBXJSXNJDLIF-UHFFFAOYSA-N
XLogP1.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one (CID 66348731) is 1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one is O=C1NCCN1CCSc1cccc(CO)c1.
What is the InChIKey of 1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one?
The InChIKey is RBRBXJSXNJDLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-9-10-2-1-3-11(8-10)17-7-6-14-5-4-13-12(14)16/h1-3,8,15H,4-7,9H2,(H,13,16).
What are the key properties of 1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one?
1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one has a molecular weight of 252.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one is sourced from PubChem (CID 66348731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).