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

C17H17ClN2O3S — CID 3961619

IUPAC1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one
SMILESCS(=O)(=O)c1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1
InChIInChI=1S/C17H17ClN2O3S/c1-24(22,23)16-7-3-6-15(11-16)20-9-8-19(17(20)21)12-13-4-2-5-14(18)10-13/h2-7,10-11H,8-9,12H2,1H3
InChIKeyKHCDOTQXBDFQEE-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.19
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one (PubChem CID 3961619) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one
PubChem CID3961619
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one
SMILESCS(=O)(=O)c1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1
InChIInChI=1S/C17H17ClN2O3S/c1-24(22,23)16-7-3-6-15(11-16)20-9-8-19(17(20)21)12-13-4-2-5-14(18)10-13/h2-7,10-11H,8-9,12H2,1H3
InChIKeyKHCDOTQXBDFQEE-UHFFFAOYSA-N
XLogP3.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one (CID 3961619) is 1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one is CS(=O)(=O)c1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
The InChIKey is KHCDOTQXBDFQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-24(22,23)16-7-3-6-15(11-16)20-9-8-19(17(20)21)12-13-4-2-5-14(18)10-13/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one?
1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one has a molecular weight of 364.85 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(3-methylsulfonylphenyl)imidazolidin-2-one is sourced from PubChem (CID 3961619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).