2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one

C14H17ClN2O3S — CID 83236881

IUPAC2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(Cl)c2)N(C2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C14H17ClN2O3S/c1-9-14(18)17(12-5-6-21(19,20)8-12)13(16-9)10-3-2-4-11(15)7-10/h2-4,7,9,12-13,16H,5-6,8H2,1H3
InChIKeyMQJFEDAWTGUUME-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.35
Rot. Bonds2

About 2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one

2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one (PubChem CID 83236881) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one
PubChem CID83236881
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(Cl)c2)N(C2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C14H17ClN2O3S/c1-9-14(18)17(12-5-6-21(19,20)8-12)13(16-9)10-3-2-4-11(15)7-10/h2-4,7,9,12-13,16H,5-6,8H2,1H3
InChIKeyMQJFEDAWTGUUME-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one (CID 83236881) is 2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one is CC1NC(c2cccc(Cl)c2)N(C2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one?
The InChIKey is MQJFEDAWTGUUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-9-14(18)17(12-5-6-21(19,20)8-12)13(16-9)10-3-2-4-11(15)7-10/h2-4,7,9,12-13,16H,5-6,8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one?
2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one has a molecular weight of 328.82 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83236881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).