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

C20H19ClF2N2O3 — CID 55305630

IUPAC3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C20H19ClF2N2O3/c1-20(11-10-13-6-8-15(9-7-13)28-18(22)23)17(26)25(19(27)24-20)12-14-4-2-3-5-16(14)21/h2-9,18H,10-12H2,1H3,(H,24,27)
InChIKeyGSFQAOMFIVHRAD-UHFFFAOYSA-N
MW408.83 g/mol
LogP4.38
Rot. Bonds7

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

3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 55305630) has the molecular formula C20H19ClF2N2O3 and a molecular weight of 408.83 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID55305630
Molecular FormulaC20H19ClF2N2O3
Molecular Weight408.83 g/mol
Exact Mass408.11
IUPAC Name3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C20H19ClF2N2O3/c1-20(11-10-13-6-8-15(9-7-13)28-18(22)23)17(26)25(19(27)24-20)12-14-4-2-3-5-16(14)21/h2-9,18H,10-12H2,1H3,(H,24,27)
InChIKeyGSFQAOMFIVHRAD-UHFFFAOYSA-N
XLogP4.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 55305649
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-pentylimidazolidine-2,4-dione
CID 112828042
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 8507004
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
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
5-[4-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42964381
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-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide
CID 17402203
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7181454
benzyl-[[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9169331

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione (CID 55305630) is 3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione is CC1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GSFQAOMFIVHRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O3/c1-20(11-10-13-6-8-15(9-7-13)28-18(22)23)17(26)25(19(27)24-20)12-14-4-2-3-5-16(14)21/h2-9,18H,10-12H2,1H3,(H,24,27).
What are the key properties of 3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?
3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 408.83 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 55305630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).