4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile

C19H15F2N3O3 — CID 46641129

IUPAC4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C19H15F2N3O3/c1-19(13-4-7-15(20)16(21)10-13)17(25)24(18(26)23-19)8-9-27-14-5-2-12(11-22)3-6-14/h2-7,10H,8-9H2,1H3,(H,23,26)
InChIKeyDGKRCYANBRNORR-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.68
Rot. Bonds5

About 4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile

4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile (PubChem CID 46641129) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is 4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
PubChem CID46641129
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Name4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C19H15F2N3O3/c1-19(13-4-7-15(20)16(21)10-13)17(25)24(18(26)23-19)8-9-27-14-5-2-12(11-22)3-6-14/h2-7,10H,8-9H2,1H3,(H,23,26)
InChIKeyDGKRCYANBRNORR-UHFFFAOYSA-N
XLogP2.68
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46815424
3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 60617429
4-[2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46816762
5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
CID 46640786
5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 24523455
3-[(4S)-1-[2-(2-fluorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 52514833
(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 92799825
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
4-[2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 42976471
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
4-[(4S)-4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl]benzonitrile
CID 40972073

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile (CID 46641129) is 4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile is CC1(c2ccc(F)c(F)c2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile?
The InChIKey is DGKRCYANBRNORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-19(13-4-7-15(20)16(21)10-13)17(25)24(18(26)23-19)8-9-27-14-5-2-12(11-22)3-6-14/h2-7,10H,8-9H2,1H3,(H,23,26).
What are the key properties of 4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile?
4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile has a molecular weight of 371.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 46641129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).