3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

C13H14Cl2N2O2S — CID 3976475

IUPAC3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCCC1NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2S/c1-20-6-5-11-12(18)17(13(19)16-11)7-8-9(14)3-2-4-10(8)15/h2-4,11H,5-7H2,1H3,(H,16,19)
InChIKeyAQSRVPNUMDSOLN-UHFFFAOYSA-N
MW333.24 g/mol
LogP3.17
Rot. Bonds5

About 3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (PubChem CID 3976475) has the molecular formula C13H14Cl2N2O2S and a molecular weight of 333.24 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
PubChem CID3976475
Molecular FormulaC13H14Cl2N2O2S
Molecular Weight333.24 g/mol
Exact Mass332.02
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCCC1NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2S/c1-20-6-5-11-12(18)17(13(19)16-11)7-8-9(14)3-2-4-10(8)15/h2-4,11H,5-7H2,1H3,(H,16,19)
InChIKeyAQSRVPNUMDSOLN-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 53.17
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

(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 50898450
2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylsulfanylbutanamide
CID 3916833
N-[(2,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 24686823
N-(cyclopentylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 24979110
(4S)-N-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52943044
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4880191
(4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide
CID 71463315
N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(1-methylethyl)-2-oxo-4-imidazolidinecarboxamide
CID 25096465
1-(cyclopropylmethyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25096466
1-(cyclobutylmethyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25096467
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-4-imidazolidinecarboxamide
CID 25096468
(2S)-N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 67458718

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (CID 3976475) is 3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is CSCCC1NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is AQSRVPNUMDSOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S/c1-20-6-5-11-12(18)17(13(19)16-11)7-8-9(14)3-2-4-10(8)15/h2-4,11H,5-7H2,1H3,(H,16,19).
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 333.24 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3976475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).