1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione

C6H8Cl2N2O2 — CID 88844619

IUPAC1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1C(=O)N(Cl)C(=O)N1Cl
InChIInChI=1S/C6H8Cl2N2O2/c1-3(2)4-5(11)10(8)6(12)9(4)7/h3-4H,1-2H3
InChIKeyIAVTVKAZJIRNMO-UHFFFAOYSA-N
MW211.05 g/mol
LogP1.58
Rot. Bonds1

About 1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione

1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 88844619) has the molecular formula C6H8Cl2N2O2 and a molecular weight of 211.05 g/mol. Its IUPAC name is 1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID88844619
Molecular FormulaC6H8Cl2N2O2
Molecular Weight211.05 g/mol
Exact Mass210.00
IUPAC Name1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1C(=O)N(Cl)C(=O)N1Cl
InChIInChI=1S/C6H8Cl2N2O2/c1-3(2)4-5(11)10(8)6(12)9(4)7/h3-4H,1-2H3
InChIKeyIAVTVKAZJIRNMO-UHFFFAOYSA-N
XLogP1.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 51.58
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

(3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
CID 162923938
3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
CID 71434541
1-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 59834705
1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
CID 170533493
4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 3227
(3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione
CID 45097321
1,3-dichloro-5,5-di(propan-2-yl)imidazolidine-2,4-dione
CID 54434344
3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 154166444
tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate
CID 11472924
tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate
CID 102241004
3-cyclopropyl-1-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885064
(6S)-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,3,5-trione
CID 11825743

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione (CID 88844619) is 1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1C(=O)N(Cl)C(=O)N1Cl.
What is the InChIKey of 1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is IAVTVKAZJIRNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N2O2/c1-3(2)4-5(11)10(8)6(12)9(4)7/h3-4H,1-2H3.
What are the key properties of 1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione?
1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 211.05 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 88844619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).