5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione

C15H18F2N2O3 — CID 111469955

IUPAC5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(CCCCCO)C1=O
InChIInChI=1S/C15H18F2N2O3/c1-15(11-9-10(16)5-6-12(11)17)13(21)19(14(22)18-15)7-3-2-4-8-20/h5-6,9,20H,2-4,7-8H2,1H3,(H,18,22)
InChIKeyYKLYJDKTYIHGSR-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.89
Rot. Bonds6

About 5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione

5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione (PubChem CID 111469955) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione
PubChem CID111469955
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(CCCCCO)C1=O
InChIInChI=1S/C15H18F2N2O3/c1-15(11-9-10(16)5-6-12(11)17)13(21)19(14(22)18-15)7-3-2-4-8-20/h5-6,9,20H,2-4,7-8H2,1H3,(H,18,22)
InChIKeyYKLYJDKTYIHGSR-UHFFFAOYSA-N
XLogP1.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.89
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

(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562071
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7801378
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 7801414
5-(2,5-difluorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 17487504
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 7561979
(5R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562039
5-(2,5-difluorophenyl)-3-[2-(4-hexylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 46552369

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione (CID 111469955) is 5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione is CC1(c2cc(F)ccc2F)NC(=O)N(CCCCCO)C1=O.
What is the InChIKey of 5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is YKLYJDKTYIHGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-15(11-9-10(16)5-6-12(11)17)13(21)19(14(22)18-15)7-3-2-4-8-20/h5-6,9,20H,2-4,7-8H2,1H3,(H,18,22).
What are the key properties of 5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione?
5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 312.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 111469955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).