1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione

C9H14Cl2N2O2 — CID 54434344

IUPAC1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)C1(C(C)C)C(=O)N(Cl)C(=O)N1Cl
InChIInChI=1S/C9H14Cl2N2O2/c1-5(2)9(6(3)4)7(14)12(10)8(15)13(9)11/h5-6H,1-4H3
InChIKeyWJRQQNHJWMZTRM-UHFFFAOYSA-N
MW253.13 g/mol
LogP2.61
Rot. Bonds2

About 1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione

1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione (PubChem CID 54434344) has the molecular formula C9H14Cl2N2O2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione
PubChem CID54434344
Molecular FormulaC9H14Cl2N2O2
Molecular Weight253.13 g/mol
Exact Mass252.04
IUPAC Name1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)C1(C(C)C)C(=O)N(Cl)C(=O)N1Cl
InChIInChI=1S/C9H14Cl2N2O2/c1-5(2)9(6(3)4)7(14)12(10)8(15)13(9)11/h5-6H,1-4H3
InChIKeyWJRQQNHJWMZTRM-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-5-ethyl-5-propylimidazolidine-2,4-dione
CID 54230615
5,5-dibutyl-1,3-dichloroimidazolidine-2,4-dione
CID 22351148
1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride
CID 172795811
3-chloro-1-ethyl-5,5-dimethylimidazolidine-2,4-dione
CID 141201222
3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 176613619
1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
CID 170533629
1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 83084913
4-methyl-3,3-di(propan-2-yl)piperazin-2-one
CID 171408807
1,3,4,4-tetra(propan-2-yl)quinazolin-2-one
CID 18685234
2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid
CID 46206905
4,4,5,5-tetramethyl-1,3-di(propan-2-yl)imidazolidin-2-one
CID 167554193
(3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one
CID 155363840

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione (CID 54434344) is 1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione is CC(C)C1(C(C)C)C(=O)N(Cl)C(=O)N1Cl.
What is the InChIKey of 1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione?
The InChIKey is WJRQQNHJWMZTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N2O2/c1-5(2)9(6(3)4)7(14)12(10)8(15)13(9)11/h5-6H,1-4H3.
What are the key properties of 1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione?
1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione has a molecular weight of 253.13 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 54434344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).