5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione

C15H20N2O3 — CID 3077547

IUPAC5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione
SMILESCCCCOc1ccc(C2(C)NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-4-5-10-20-12-8-6-11(7-9-12)15(2)13(18)17(3)14(19)16-15/h6-9H,4-5,10H2,1-3H3,(H,16,19)
InChIKeyBJIDSOMTNPJDOM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.26
Rot. Bonds5

About 5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione

5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 3077547) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione
PubChem CID3077547
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione
SMILESCCCCOc1ccc(C2(C)NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-4-5-10-20-12-8-6-11(7-9-12)15(2)13(18)17(3)14(19)16-15/h6-9H,4-5,10H2,1-3H3,(H,16,19)
InChIKeyBJIDSOMTNPJDOM-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.26
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 5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione (CID 3077547) is 5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione is CCCCOc1ccc(C2(C)NC(=O)N(C)C2=O)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione?
The InChIKey is BJIDSOMTNPJDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-5-10-20-12-8-6-11(7-9-12)15(2)13(18)17(3)14(19)16-15/h6-9H,4-5,10H2,1-3H3,(H,16,19).
What are the key properties of 5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione?
5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 276.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 3077547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).