(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione

C19H18F2N2O2S — CID 7181335

IUPAC(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCSc2ccccc2F)C1=O
InChIInChI=1S/C19H18F2N2O2S/c1-2-19(13-7-9-14(20)10-8-13)17(24)23(18(25)22-19)11-12-26-16-6-4-3-5-15(16)21/h3-10H,2,11-12H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyWZQSDSYNVOQANS-IBGZPJMESA-N
MW376.43 g/mol
LogP3.91
Rot. Bonds6

About (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione

(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 7181335) has the molecular formula C19H18F2N2O2S and a molecular weight of 376.43 g/mol. Its IUPAC name is (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione
PubChem CID7181335
Molecular FormulaC19H18F2N2O2S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCSc2ccccc2F)C1=O
InChIInChI=1S/C19H18F2N2O2S/c1-2-19(13-7-9-14(20)10-8-13)17(24)23(18(25)22-19)11-12-26-16-6-4-3-5-15(16)21/h3-10H,2,11-12H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyWZQSDSYNVOQANS-IBGZPJMESA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)imidazolidine-2,4-dione
CID 17454359
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994
(5S)-3-(2-ethoxyethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8521699
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]imidazolidine-2,4-dione
CID 42938170
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
(5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 8639227
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7181255
3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35363250
(5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione
CID 7181192
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 4804726
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4804767

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione (CID 7181335) is (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione is CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCSc2ccccc2F)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is WZQSDSYNVOQANS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18F2N2O2S/c1-2-19(13-7-9-14(20)10-8-13)17(24)23(18(25)22-19)11-12-26-16-6-4-3-5-15(16)21/h3-10H,2,11-12H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione?
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 376.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7181335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).