1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one

C17H16F2N2O3S — CID 4675754

IUPAC1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one
SMILESCS(=O)(=O)c1cccc(N2CCN(Cc3ccc(F)cc3F)C2=O)c1
InChIInChI=1S/C17H16F2N2O3S/c1-25(23,24)15-4-2-3-14(10-15)21-8-7-20(17(21)22)11-12-5-6-13(18)9-16(12)19/h2-6,9-10H,7-8,11H2,1H3
InChIKeyNGEYIVGPHOVPJJ-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.81
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one

1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one (PubChem CID 4675754) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one
PubChem CID4675754
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one
SMILESCS(=O)(=O)c1cccc(N2CCN(Cc3ccc(F)cc3F)C2=O)c1
InChIInChI=1S/C17H16F2N2O3S/c1-25(23,24)15-4-2-3-14(10-15)21-8-7-20(17(21)22)11-12-5-6-13(18)9-16(12)19/h2-6,9-10H,7-8,11H2,1H3
InChIKeyNGEYIVGPHOVPJJ-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one (CID 4675754) is 1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one is CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(F)cc3F)C2=O)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
The InChIKey is NGEYIVGPHOVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-25(23,24)15-4-2-3-14(10-15)21-8-7-20(17(21)22)11-12-5-6-13(18)9-16(12)19/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one has a molecular weight of 366.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one is sourced from PubChem (CID 4675754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).