3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one

C11H11FN2OS — CID 43995738

IUPAC3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1CCc1ccc(F)cc1
InChIInChI=1S/C11H11FN2OS/c12-9-3-1-8(2-4-9)5-6-14-10(15)7-13-11(14)16/h1-4H,5-7H2,(H,13,16)
InChIKeyUFTREXZXERFPDZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.08
Rot. Bonds3

About 3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one

3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 43995738) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID43995738
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1CCc1ccc(F)cc1
InChIInChI=1S/C11H11FN2OS/c12-9-3-1-8(2-4-9)5-6-14-10(15)7-13-11(14)16/h1-4H,5-7H2,(H,13,16)
InChIKeyUFTREXZXERFPDZ-UHFFFAOYSA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3,4-dihydroxyphenyl)ethyl]-2-sulfanylideneimidazolidin-4-one
CID 2726660
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65446883
1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909849
1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid
CID 22350224
3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 55027475
8-[2-(4-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62739073
1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837872
4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile
CID 22350240
5-(dimethyl-lambda4-sulfanylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 2919808
1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
CID 43519642
1-[(4-fluorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64883955
3-(3-propan-2-yloxypropyl)-2-sulfanylideneimidazolidin-4-one
CID 43995694

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one (CID 43995738) is 3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1CCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UFTREXZXERFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-9-3-1-8(2-4-9)5-6-14-10(15)7-13-11(14)16/h1-4H,5-7H2,(H,13,16).
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one?
3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 238.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 43995738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).