5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione

C11H17Cl3N2O2S — CID 21782

💊View drug profile → clodantoin
IUPAC5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
SMILESCCCCC(CC)C1NC(=O)N(SC(Cl)(Cl)Cl)C1=O
InChIInChI=1S/C11H17Cl3N2O2S/c1-3-5-6-7(4-2)8-9(17)16(10(18)15-8)19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,18)
InChIKeyVOGJJBHRUDVEFM-UHFFFAOYSA-N
MW347.70 g/mol
LogP4.10
Rot. Bonds6

About 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione

5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione (PubChem CID 21782) has the molecular formula C11H17Cl3N2O2S and a molecular weight of 347.70 g/mol. Its IUPAC name is 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
PubChem CID21782
Molecular FormulaC11H17Cl3N2O2S
Molecular Weight347.70 g/mol
Exact Mass346.01
IUPAC Name5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
SMILESCCCCC(CC)C1NC(=O)N(SC(Cl)(Cl)Cl)C1=O
InChIInChI=1S/C11H17Cl3N2O2S/c1-3-5-6-7(4-2)8-9(17)16(10(18)15-8)19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,18)
InChIKeyVOGJJBHRUDVEFM-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Heptan-3-YL)imidazolidine-2,4-dione
CID 127263520
5-Cyclopentylimidazolidine-2,4-dione
CID 225448
5-Hexan-2-ylimidazolidine-2,4-dione
CID 67782744
Sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione
CID 135001720
5-Cyclohexyl-3-methylimidazolidine-2,4-dione
CID 10219804
5-Cyclohexylmethylhydantoin
CID 11830357
5-Pentyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
CID 20336100
(5S)-5-(cyclohexylmethyl)-3-methylimidazolidine-2,4-dione
CID 59157738
5-(4-Methylpentyl)imidazolidine-2,4-dione
CID 60123429
5-(6,6-Dichloro-2-methylhexan-2-yl)imidazolidine-2,4-dione
CID 70362205
5-(1,1-Dichloroheptan-2-yl)imidazolidine-2,4-dione
CID 70405533
5-(5-Methylhexyl)imidazolidine-2,4-dione
CID 70408623

Frequently Asked Questions

What is the IUPAC name of 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione?
The IUPAC name of 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione (CID 21782) is 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione is CCCCC(CC)C1NC(=O)N(SC(Cl)(Cl)Cl)C1=O.
What is the InChIKey of 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione?
The InChIKey is VOGJJBHRUDVEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl3N2O2S/c1-3-5-6-7(4-2)8-9(17)16(10(18)15-8)19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione?
5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione has a molecular weight of 347.70 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione is sourced from PubChem (CID 21782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).