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

C11H19ClN2O2 — CID 170533629

IUPAC1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
SMILESCCC(C)CN1C(=O)N(Cl)C(C)(CC)C1=O
InChIInChI=1S/C11H19ClN2O2/c1-5-8(3)7-13-9(15)11(4,6-2)14(12)10(13)16/h8H,5-7H2,1-4H3
InChIKeyYPEZHPUWVYDMKK-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.62
Rot. Bonds4

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

1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione (PubChem CID 170533629) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
PubChem CID170533629
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
SMILESCCC(C)CN1C(=O)N(Cl)C(C)(CC)C1=O
InChIInChI=1S/C11H19ClN2O2/c1-5-8(3)7-13-9(15)11(4,6-2)14(12)10(13)16/h8H,5-7H2,1-4H3
InChIKeyYPEZHPUWVYDMKK-UHFFFAOYSA-N
XLogP2.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.62
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-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
CID 170533493
1-chloro-3-(2-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 170533519
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64885851
2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid
CID 54221869
1-(3-chloro-2-methylpropyl)-3,3-dimethylindol-2-one
CID 80500181
1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione
CID 163858461
3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione
CID 147895456
1-chloro-3-(2-methylbutyl)pyrimidine-2,4-dione
CID 170533596
5-ethyl-5-methyl-1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione
CID 27204
1-(2-methylbutyl)piperidin-4-one
CID 62105123
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 126615558

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione (CID 170533629) is 1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione is CCC(C)CN1C(=O)N(Cl)C(C)(CC)C1=O.
What is the InChIKey of 1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is YPEZHPUWVYDMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-5-8(3)7-13-9(15)11(4,6-2)14(12)10(13)16/h8H,5-7H2,1-4H3.
What are the key properties of 1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione?
1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 246.74 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-ethyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 170533629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).