1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

C19H16F5N3O2 — CID 58154385

IUPAC1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1N
InChIInChI=1S/C19H16F5N3O2/c1-18(2)16(28)27(12-5-6-14(21)13(8-12)19(22,23)24)17(29)26(18)9-10-3-4-11(20)7-15(10)25/h3-8H,9,25H2,1-2H3
InChIKeyHHZOLOAKLZDQBY-UHFFFAOYSA-N
MW413.35 g/mol
LogP4.31
Rot. Bonds3

About 1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 58154385) has the molecular formula C19H16F5N3O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is 1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID58154385
Molecular FormulaC19H16F5N3O2
Molecular Weight413.35 g/mol
Exact Mass413.12
IUPAC Name1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1N
InChIInChI=1S/C19H16F5N3O2/c1-18(2)16(28)27(12-5-6-14(21)13(8-12)19(22,23)24)17(29)26(18)9-10-3-4-11(20)7-15(10)25/h3-8H,9,25H2,1-2H3
InChIKeyHHZOLOAKLZDQBY-UHFFFAOYSA-N
XLogP4.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 67233315
1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 59384224
3-[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]anilino]benzenesulfonamide
CID 91125338
3-[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]anilino]benzenesulfonamide;hydrochloride
CID 142699061
2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]acetonitrile
CID 162657022
methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate
CID 58360661
methyl 4-[3-[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]-2-oxopropyl]benzoate
CID 58171773
1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 25211634
1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate
CID 143842938
1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 58171761
1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 58154380
tert-butyl 4-[4-[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]anilino]phenyl]-3-oxopiperazine-1-carboxylate
CID 66942131

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 58154385) is 1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1N.
What is the InChIKey of 1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is HHZOLOAKLZDQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5N3O2/c1-18(2)16(28)27(12-5-6-14(21)13(8-12)19(22,23)24)17(29)26(18)9-10-3-4-11(20)7-15(10)25/h3-8H,9,25H2,1-2H3.
What are the key properties of 1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 413.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 58154385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).