5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione

C17H24N2O3 — CID 2835311

IUPAC5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCCCCCCOc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-3-4-5-6-7-12-22-14-10-8-13(9-11-14)17(2)15(20)18-16(21)19-17/h8-11H,3-7,12H2,1-2H3,(H2,18,19,20,21)
InChIKeyYOQXFIJVEOBJTJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.09
Rot. Bonds8

About 5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione

5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 2835311) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID2835311
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCCCCCCOc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-3-4-5-6-7-12-22-14-10-8-13(9-11-14)17(2)15(20)18-16(21)19-17/h8-11H,3-7,12H2,1-2H3,(H2,18,19,20,21)
InChIKeyYOQXFIJVEOBJTJ-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
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

Sorbinil
CID 337359
Hydantoin, 5-(p-isopentoxyphenyl)-5-methyl-
CID 2835307
5-(4-Butoxyphenyl)-5-methyl-2,4-imidazolidinedione
CID 50211
6-Fluoro-4-chromanone hydantoin
CID 5252
E 0722
CID 175915
4-Hydroxynirvanol
CID 173835
5-(4-Methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 211351
5-(4-Butoxyphenyl)-2-hydroxy-3,5-dimethyl-3,5-dihydro-4H-imidazol-4-one
CID 3077547
5,5-Bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 2339366
5-(3,4-Dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 3559619
5-(4-Isopropoxy-phenyl)-imidazolidine-2,4-dione
CID 578335
2,4-Imidazolidinedione, 5-((3,4-dimethoxyphenyl)methyl)-5-methyl-
CID 120830

Frequently Asked Questions

What is the IUPAC name of 5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 2835311) is 5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione is CCCCCCCOc1ccc(C2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is YOQXFIJVEOBJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-4-5-6-7-12-22-14-10-8-13(9-11-14)17(2)15(20)18-16(21)19-17/h8-11H,3-7,12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione?
5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 304.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-heptoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2835311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).