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

C25H21F4N3O2 — CID 25211634

IUPAC1-[(2-anilinophenyl)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)N1Cc1ccccc1Nc1ccccc1
InChIInChI=1S/C25H21F4N3O2/c1-24(2)22(33)32(18-12-13-20(26)19(14-18)25(27,28)29)23(34)31(24)15-16-8-6-7-11-21(16)30-17-9-4-3-5-10-17/h3-14,30H,15H2,1-2H3
InChIKeyMLEZNWXGXAQGSF-UHFFFAOYSA-N
MW471.45 g/mol
LogP6.34
Rot. Bonds5

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

1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 25211634) has the molecular formula C25H21F4N3O2 and a molecular weight of 471.45 g/mol. Its IUPAC name is 1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID25211634
Molecular FormulaC25H21F4N3O2
Molecular Weight471.45 g/mol
Exact Mass471.16
IUPAC Name1-[(2-anilinophenyl)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)N1Cc1ccccc1Nc1ccccc1
InChIInChI=1S/C25H21F4N3O2/c1-24(2)22(33)32(18-12-13-20(26)19(14-18)25(27,28)29)23(34)31(24)15-16-8-6-7-11-21(16)30-17-9-4-3-5-10-17/h3-14,30H,15H2,1-2H3
InChIKeyMLEZNWXGXAQGSF-UHFFFAOYSA-N
XLogP6.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.45
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 25211634) is 1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-anilinophenyl)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)N1Cc1ccccc1Nc1ccccc1.
What is the InChIKey of 1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MLEZNWXGXAQGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N3O2/c1-24(2)22(33)32(18-12-13-20(26)19(14-18)25(27,28)29)23(34)31(24)15-16-8-6-7-11-21(16)30-17-9-4-3-5-10-17/h3-14,30H,15H2,1-2H3.
What are the key properties of 1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 471.45 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-anilinophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 25211634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).