1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one

C12H16N2O — CID 24752970

IUPAC1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one
SMILESC[C@@H](c1ccccc1)C1CN(C)C(=O)N1
InChIInChI=1S/C12H16N2O/c1-9(10-6-4-3-5-7-10)11-8-14(2)12(15)13-11/h3-7,9,11H,8H2,1-2H3,(H,13,15)/t9-,11?/m0/s1
InChIKeyRUYAAADFMLJSFB-FTNKSUMCSA-N
MW204.27 g/mol
LogP1.81
Rot. Bonds2

About 1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one

1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one (PubChem CID 24752970) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one
PubChem CID24752970
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one
SMILESC[C@@H](c1ccccc1)C1CN(C)C(=O)N1
InChIInChI=1S/C12H16N2O/c1-9(10-6-4-3-5-7-10)11-8-14(2)12(15)13-11/h3-7,9,11H,8H2,1-2H3,(H,13,15)/t9-,11?/m0/s1
InChIKeyRUYAAADFMLJSFB-FTNKSUMCSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one
CID 176750424
1-(cyclohexylmethyl)-4-[(1S)-1-phenylethyl]imidazolidin-2-one
CID 24752966
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
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(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 98079235
3-(1-phenylethyl)azetidine-1-carbaldehyde
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4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]imidazolidin-2-one
CID 66713277
2-(1-phenylethyl)-1-azabicyclo[2.2.2]octan-3-one
CID 20762194
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
4-(1-phenylethyl)-1-propylpyrrolidin-2-one
CID 123830048
1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione
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CID 134922507

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one (CID 24752970) is 1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one is C[C@@H](c1ccccc1)C1CN(C)C(=O)N1.
What is the InChIKey of 1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one?
The InChIKey is RUYAAADFMLJSFB-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(10-6-4-3-5-7-10)11-8-14(2)12(15)13-11/h3-7,9,11H,8H2,1-2H3,(H,13,15)/t9-,11?/m0/s1.
What are the key properties of 1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one?
1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one is sourced from PubChem (CID 24752970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).