3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one

C14H17FN2O3S — CID 83266741

IUPAC3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one
SMILESO=C1CNC(c2cccc(F)c2)N1CC1CCCS1(=O)=O
InChIInChI=1S/C14H17FN2O3S/c15-11-4-1-3-10(7-11)14-16-8-13(18)17(14)9-12-5-2-6-21(12,19)20/h1,3-4,7,12,14,16H,2,5-6,8-9H2
InChIKeyOUMXZIOZPNUZHG-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.83
Rot. Bonds3

About 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one

3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one (PubChem CID 83266741) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one
PubChem CID83266741
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one
SMILESO=C1CNC(c2cccc(F)c2)N1CC1CCCS1(=O)=O
InChIInChI=1S/C14H17FN2O3S/c15-11-4-1-3-10(7-11)14-16-8-13(18)17(14)9-12-5-2-6-21(12,19)20/h1,3-4,7,12,14,16H,2,5-6,8-9H2
InChIKeyOUMXZIOZPNUZHG-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one
CID 83266730
2-(3-fluorophenyl)-3-[(4-methylmorpholin-2-yl)methyl]imidazolidin-4-one
CID 83269076
2-(3-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256699
3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one
CID 83271086
3-cyclohexyl-2-(3-fluorophenyl)imidazolidin-4-one
CID 83243222
3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one
CID 83237103
2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one
CID 83246906
3-(cyclopropylmethyl)-2-phenylimidazolidin-4-one
CID 83250909
3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one
CID 83251333
3-(2,2-dimethylcyclopentyl)-2-(3-fluorophenyl)imidazolidin-4-one
CID 83270186
3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83263212
2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
CID 83262999

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one?
The IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one (CID 83266741) is 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one?
The canonical SMILES for 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one is O=C1CNC(c2cccc(F)c2)N1CC1CCCS1(=O)=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one?
The InChIKey is OUMXZIOZPNUZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c15-11-4-1-3-10(7-11)14-16-8-13(18)17(14)9-12-5-2-6-21(12,19)20/h1,3-4,7,12,14,16H,2,5-6,8-9H2.
What are the key properties of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one?
3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one has a molecular weight of 312.37 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 83266741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).