1-(2-methylsulfanylphenyl)imidazolidin-2-one

C10H12N2OS — CID 107647362

IUPAC1-(2-methylsulfanylphenyl)imidazolidin-2-one
SMILESCSc1ccccc1N1CCNC1=O
InChIInChI=1S/C10H12N2OS/c1-14-9-5-3-2-4-8(9)12-7-6-11-10(12)13/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyMDWTUBSOEDWUKX-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.94
Rot. Bonds2

About 1-(2-methylsulfanylphenyl)imidazolidin-2-one

1-(2-methylsulfanylphenyl)imidazolidin-2-one (PubChem CID 107647362) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)imidazolidin-2-one
PubChem CID107647362
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-(2-methylsulfanylphenyl)imidazolidin-2-one
SMILESCSc1ccccc1N1CCNC1=O
InChIInChI=1S/C10H12N2OS/c1-14-9-5-3-2-4-8(9)12-7-6-11-10(12)13/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyMDWTUBSOEDWUKX-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(2-methylsulfanylphenyl)imidazolidin-2-one (CID 107647362) is 1-(2-methylsulfanylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-methylsulfanylphenyl)imidazolidin-2-one is CSc1ccccc1N1CCNC1=O.
What is the InChIKey of 1-(2-methylsulfanylphenyl)imidazolidin-2-one?
The InChIKey is MDWTUBSOEDWUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-14-9-5-3-2-4-8(9)12-7-6-11-10(12)13/h2-5H,6-7H2,1H3,(H,11,13).
What are the key properties of 1-(2-methylsulfanylphenyl)imidazolidin-2-one?
1-(2-methylsulfanylphenyl)imidazolidin-2-one has a molecular weight of 208.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)imidazolidin-2-one is sourced from PubChem (CID 107647362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).