3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione

C20H29ClN2O3 — CID 2215988

IUPAC3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCC(C)(C)c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(Cl)c1
InChIInChI=1S/C20H29ClN2O3/c1-6-19(2,3)14-9-10-16(15(21)13-14)26-12-8-7-11-23-17(24)20(4,5)22-18(23)25/h9-10,13H,6-8,11-12H2,1-5H3,(H,22,25)
InChIKeyNTGPIDZHGRSUQA-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.52
Rot. Bonds8

About 3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione

3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2215988) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2215988
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCC(C)(C)c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(Cl)c1
InChIInChI=1S/C20H29ClN2O3/c1-6-19(2,3)14-9-10-16(15(21)13-14)26-12-8-7-11-23-17(24)20(4,5)22-18(23)25/h9-10,13H,6-8,11-12H2,1-5H3,(H,22,25)
InChIKeyNTGPIDZHGRSUQA-UHFFFAOYSA-N
XLogP4.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-4-ethylpiperazine
CID 2216579
2-chloro-4-(2-methylheptan-2-yl)-1-pentoxybenzene
CID 54425334
3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43365746
3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1300284
3-[3-[2-(aminomethyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43253870
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
CID 24991436
1-[2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]ethyl]piperazine-1,4-diium
CID 7439841
5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione
CID 973291
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 43243887

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2215988) is 3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione is CCC(C)(C)c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(Cl)c1.
What is the InChIKey of 3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is NTGPIDZHGRSUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3/c1-6-19(2,3)14-9-10-16(15(21)13-14)26-12-8-7-11-23-17(24)20(4,5)22-18(23)25/h9-10,13H,6-8,11-12H2,1-5H3,(H,22,25).
What are the key properties of 3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 380.92 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2215988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).