5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione

C22H24F2N2O3 — CID 46640786

IUPAC5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCc1cc(OCCN2C(=O)NC(C)(c3ccc(F)c(F)c3)C2=O)ccc1C(C)C
InChIInChI=1S/C22H24F2N2O3/c1-13(2)17-7-6-16(11-14(17)3)29-10-9-26-20(27)22(4,25-21(26)28)15-5-8-18(23)19(24)12-15/h5-8,11-13H,9-10H2,1-4H3,(H,25,28)
InChIKeyBIRISMSUNJFZBO-UHFFFAOYSA-N
MW402.44 g/mol
LogP4.24
Rot. Bonds6

About 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione

5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 46640786) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID46640786
Molecular FormulaC22H24F2N2O3
Molecular Weight402.44 g/mol
Exact Mass402.18
IUPAC Name5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCc1cc(OCCN2C(=O)NC(C)(c3ccc(F)c(F)c3)C2=O)ccc1C(C)C
InChIInChI=1S/C22H24F2N2O3/c1-13(2)17-7-6-16(11-14(17)3)29-10-9-26-20(27)22(4,25-21(26)28)15-5-8-18(23)19(24)12-15/h5-8,11-13H,9-10H2,1-4H3,(H,25,28)
InChIKeyBIRISMSUNJFZBO-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42976368
4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 46641129
3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42988993
5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 24523455
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443511
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443513
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 92799825
3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46615775
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
5-(3,4-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529191
4-[2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46816762

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione (CID 46640786) is 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione is Cc1cc(OCCN2C(=O)NC(C)(c3ccc(F)c(F)c3)C2=O)ccc1C(C)C.
What is the InChIKey of 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is BIRISMSUNJFZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c1-13(2)17-7-6-16(11-14(17)3)29-10-9-26-20(27)22(4,25-21(26)28)15-5-8-18(23)19(24)12-15/h5-8,11-13H,9-10H2,1-4H3,(H,25,28).
What are the key properties of 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione?
5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 402.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46640786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).