3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione

C15H19ClN2O3 — CID 2199845

IUPAC3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H19ClN2O3/c1-15(2)13(19)18(14(20)17-15)9-3-4-10-21-12-7-5-11(16)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyCOZHVPFILLOREA-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.83
Rot. Bonds6

About 3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione

3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2199845) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2199845
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H19ClN2O3/c1-15(2)13(19)18(14(20)17-15)9-3-4-10-21-12-7-5-11(16)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyCOZHVPFILLOREA-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2199845) is 3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCCOc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is COZHVPFILLOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-15(2)13(19)18(14(20)17-15)9-3-4-10-21-12-7-5-11(16)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20).
What are the key properties of 3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 310.78 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)butyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2199845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).