3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione

C16H22N2O2 — CID 12790729

IUPAC3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(Cc2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-5-8-18-15(19)14(17-16(18)20)10-13-7-6-11(2)12(3)9-13/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyFGVVYTZNQWSKEL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.57
Rot. Bonds5

About 3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione

3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 12790729) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID12790729
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(Cc2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-5-8-18-15(19)14(17-16(18)20)10-13-7-6-11(2)12(3)9-13/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyFGVVYTZNQWSKEL-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione (CID 12790729) is 3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione is CCCCN1C(=O)NC(Cc2ccc(C)c(C)c2)C1=O.
What is the InChIKey of 3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is FGVVYTZNQWSKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-5-8-18-15(19)14(17-16(18)20)10-13-7-6-11(2)12(3)9-13/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,17,20).
What are the key properties of 3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione?
3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 274.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 12790729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).