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

C20H19F4N3O3 — CID 67233315

IUPAC1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N(c3ccc(F)c(C(F)(F)F)c3)C(=O)C2(C)C)c(N)c1
InChIInChI=1S/C20H19F4N3O3/c1-19(2)17(28)27(12-5-7-15(21)14(8-12)20(22,23)24)18(29)26(19)10-11-4-6-13(30-3)9-16(11)25/h4-9H,10,25H2,1-3H3
InChIKeyAJQSQNYRGANMAB-UHFFFAOYSA-N
MW425.38 g/mol
LogP4.18
Rot. Bonds4

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

1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 67233315) has the molecular formula C20H19F4N3O3 and a molecular weight of 425.38 g/mol. Its IUPAC name is 1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID67233315
Molecular FormulaC20H19F4N3O3
Molecular Weight425.38 g/mol
Exact Mass425.14
IUPAC Name1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N(c3ccc(F)c(C(F)(F)F)c3)C(=O)C2(C)C)c(N)c1
InChIInChI=1S/C20H19F4N3O3/c1-19(2)17(28)27(12-5-7-15(21)14(8-12)20(22,23)24)18(29)26(19)10-11-4-6-13(30-3)9-16(11)25/h4-9H,10,25H2,1-3H3
InChIKeyAJQSQNYRGANMAB-UHFFFAOYSA-N
XLogP4.18
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 67233315) is 1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccc(CN2C(=O)N(c3ccc(F)c(C(F)(F)F)c3)C(=O)C2(C)C)c(N)c1.
What is the InChIKey of 1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is AJQSQNYRGANMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O3/c1-19(2)17(28)27(12-5-7-15(21)14(8-12)20(22,23)24)18(29)26(19)10-11-4-6-13(30-3)9-16(11)25/h4-9H,10,25H2,1-3H3.
What are the key properties of 1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 425.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-methoxyphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 67233315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).