1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one

C17H15F3N2O3S — CID 3961621

IUPAC1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one
SMILESCS(=O)(=O)c1cccc(N2CCN(Cc3c(F)cc(F)cc3F)C2=O)c1
InChIInChI=1S/C17H15F3N2O3S/c1-26(24,25)13-4-2-3-12(9-13)22-6-5-21(17(22)23)10-14-15(19)7-11(18)8-16(14)20/h2-4,7-9H,5-6,10H2,1H3
InChIKeyBAWQMBZFPMRHKG-UHFFFAOYSA-N
MW384.38 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one

1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one (PubChem CID 3961621) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is 1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one
PubChem CID3961621
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC Name1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one
SMILESCS(=O)(=O)c1cccc(N2CCN(Cc3c(F)cc(F)cc3F)C2=O)c1
InChIInChI=1S/C17H15F3N2O3S/c1-26(24,25)13-4-2-3-12(9-13)22-6-5-21(17(22)23)10-14-15(19)7-11(18)8-16(14)20/h2-4,7-9H,5-6,10H2,1H3
InChIKeyBAWQMBZFPMRHKG-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one (CID 3961621) is 1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one is CS(=O)(=O)c1cccc(N2CCN(Cc3c(F)cc(F)cc3F)C2=O)c1.
What is the InChIKey of 1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is BAWQMBZFPMRHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c1-26(24,25)13-4-2-3-12(9-13)22-6-5-21(17(22)23)10-14-15(19)7-11(18)8-16(14)20/h2-4,7-9H,5-6,10H2,1H3.
What are the key properties of 1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one?
1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 384.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 3961621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).