1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione

C12H21ClN2O3S — CID 163858461

IUPAC1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESCC(C)OCCSCCN1C(=O)N(Cl)C(C)(C)C1=O
InChIInChI=1S/C12H21ClN2O3S/c1-9(2)18-6-8-19-7-5-14-10(16)12(3,4)15(13)11(14)17/h9H,5-8H2,1-4H3
InChIKeyPAKZPQLHXYZLSI-UHFFFAOYSA-N
MW308.83 g/mol
LogP2.34
Rot. Bonds7

About 1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione

1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione (PubChem CID 163858461) has the molecular formula C12H21ClN2O3S and a molecular weight of 308.83 g/mol. Its IUPAC name is 1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione
PubChem CID163858461
Molecular FormulaC12H21ClN2O3S
Molecular Weight308.83 g/mol
Exact Mass308.10
IUPAC Name1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESCC(C)OCCSCCN1C(=O)N(Cl)C(C)(C)C1=O
InChIInChI=1S/C12H21ClN2O3S/c1-9(2)18-6-8-19-7-5-14-10(16)12(3,4)15(13)11(14)17/h9H,5-8H2,1-4H3
InChIKeyPAKZPQLHXYZLSI-UHFFFAOYSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane
CID 155415621
2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid
CID 46206905
2-[3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethylazaniumyl]acetate
CID 155523927
3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione
CID 101266534
1,3-bis(3-methoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 118434094
1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 19880482
3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 46580993
1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
CID 170533629
(5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 51933134
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
4,5,6,7-tetrachloro-2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 24674794
1,1,1-trifluoro-17-(2-propan-2-yloxyethylsulfanyl)heptadecane
CID 170688924

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione (CID 163858461) is 1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione is CC(C)OCCSCCN1C(=O)N(Cl)C(C)(C)C1=O.
What is the InChIKey of 1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is PAKZPQLHXYZLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O3S/c1-9(2)18-6-8-19-7-5-14-10(16)12(3,4)15(13)11(14)17/h9H,5-8H2,1-4H3.
What are the key properties of 1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione?
1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 308.83 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 163858461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).