1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione

C9H15ClN2O2 — CID 170533493

IUPAC1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
SMILESCCC(C)CN1C(=O)C(C)N(Cl)C1=O
InChIInChI=1S/C9H15ClN2O2/c1-4-6(2)5-11-8(13)7(3)12(10)9(11)14/h6-7H,4-5H2,1-3H3
InChIKeyWPSIJEIYMYTFFD-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.84
Rot. Bonds3

About 1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione

1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione (PubChem CID 170533493) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
PubChem CID170533493
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
SMILESCCC(C)CN1C(=O)C(C)N(Cl)C1=O
InChIInChI=1S/C9H15ClN2O2/c1-4-6(2)5-11-8(13)7(3)12(10)9(11)14/h6-7H,4-5H2,1-3H3
InChIKeyWPSIJEIYMYTFFD-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.84
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-chloro-3-(2-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 170533519
1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
CID 170533629
3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione
CID 147895456
3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64881374
2-methyl-3-(2-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252090
bis(7-methyl-18-(2-methylbutyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone);pentane
CID 158170889
1-chloro-3-(2-methylbutyl)pyrimidine-2,4-dione
CID 170533596
3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one
CID 114999710
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64885851
3-ethyl-1-(2-methylbutyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910662
1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559
1-(2-methylbutyl)piperidin-4-one
CID 62105123

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione (CID 170533493) is 1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione is CCC(C)CN1C(=O)C(C)N(Cl)C1=O.
What is the InChIKey of 1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is WPSIJEIYMYTFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-4-6(2)5-11-8(13)7(3)12(10)9(11)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione?
1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 218.68 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 170533493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).