(5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione

C18H15Cl2FN2O2S — CID 7181192

IUPAC(5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCSc2ccccc2F)C1=O
InChIInChI=1S/C18H15Cl2FN2O2S/c1-18(12-7-6-11(19)10-13(12)20)16(24)23(17(25)22-18)8-9-26-15-5-3-2-4-14(15)21/h2-7,10H,8-9H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyDPNCAQXEKKMZRC-GOSISDBHSA-N
MW413.30 g/mol
LogP4.69
Rot. Bonds5

About (5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7181192) has the molecular formula C18H15Cl2FN2O2S and a molecular weight of 413.30 g/mol. Its IUPAC name is (5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione
PubChem CID7181192
Molecular FormulaC18H15Cl2FN2O2S
Molecular Weight413.30 g/mol
Exact Mass412.02
IUPAC Name(5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCSc2ccccc2F)C1=O
InChIInChI=1S/C18H15Cl2FN2O2S/c1-18(12-7-6-11(19)10-13(12)20)16(24)23(17(25)22-18)8-9-26-15-5-3-2-4-14(15)21/h2-7,10H,8-9H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyDPNCAQXEKKMZRC-GOSISDBHSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.69
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

(5R)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 2117014
5-(2-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56520242
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2691204
3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 51954629
5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione
CID 7181335
2-[[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7565535
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704475
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702977
3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79527723
5-(2,4-dichlorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 43030300

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione (CID 7181192) is (5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCSc2ccccc2F)C1=O.
What is the InChIKey of (5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DPNCAQXEKKMZRC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2S/c1-18(12-7-6-11(19)10-13(12)20)16(24)23(17(25)22-18)8-9-26-15-5-3-2-4-14(15)21/h2-7,10H,8-9H2,1H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 413.30 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7181192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).