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

C17H17FN2O3S — CID 4675757

IUPAC1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one
SMILESCS(=O)(=O)c1cccc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C17H17FN2O3S/c1-24(22,23)16-4-2-3-15(11-16)20-10-9-19(17(20)21)12-13-5-7-14(18)8-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyCJURFTXWYURJRQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.67
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one (PubChem CID 4675757) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one
PubChem CID4675757
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one
SMILESCS(=O)(=O)c1cccc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C17H17FN2O3S/c1-24(22,23)16-4-2-3-15(11-16)20-10-9-19(17(20)21)12-13-5-7-14(18)8-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyCJURFTXWYURJRQ-UHFFFAOYSA-N
XLogP2.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one (CID 4675757) is 1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one is CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
The InChIKey is CJURFTXWYURJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-24(22,23)16-4-2-3-15(11-16)20-10-9-19(17(20)21)12-13-5-7-14(18)8-6-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one has a molecular weight of 348.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one is sourced from PubChem (CID 4675757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).