5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione

C18H24F2N2O3 — CID 112828042

IUPAC5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione
SMILESCCCCCN1C(=O)NC(C)(CCc2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C18H24F2N2O3/c1-3-4-5-12-22-15(23)18(2,21-17(22)24)11-10-13-6-8-14(9-7-13)25-16(19)20/h6-9,16H,3-5,10-12H2,1-2H3,(H,21,24)
InChIKeyYUPVJMADOVDECJ-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.72
Rot. Bonds9

About 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione

5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione (PubChem CID 112828042) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione
PubChem CID112828042
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione
SMILESCCCCCN1C(=O)NC(C)(CCc2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C18H24F2N2O3/c1-3-4-5-12-22-15(23)18(2,21-17(22)24)11-10-13-6-8-14(9-7-13)25-16(19)20/h6-9,16H,3-5,10-12H2,1-2H3,(H,21,24)
InChIKeyYUPVJMADOVDECJ-UHFFFAOYSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.72
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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Related Compounds

5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 60602090
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 55305649
3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
CID 55305630
(5R)-3-butyl-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 51932049
(5R)-3-(2-ethoxyethyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8608588
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 55923174
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
CID 42998312
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 30000395
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914
N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8567619
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
N-[4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804583

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione (CID 112828042) is 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione is CCCCCN1C(=O)NC(C)(CCc2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione?
The InChIKey is YUPVJMADOVDECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c1-3-4-5-12-22-15(23)18(2,21-17(22)24)11-10-13-6-8-14(9-7-13)25-16(19)20/h6-9,16H,3-5,10-12H2,1-2H3,(H,21,24).
What are the key properties of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione?
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione has a molecular weight of 354.40 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione is sourced from PubChem (CID 112828042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).