5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C19H14F6N2O2 — CID 155545261

IUPAC5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O2/c1-17(2)15(28)26(13-7-3-5-11(9-13)18(20,21)22)16(29)27(17)14-8-4-6-12(10-14)19(23,24)25/h3-10H,1-2H3
InChIKeyBDAVKCQCSWFGLV-UHFFFAOYSA-N
MW416.32 g/mol
LogP5.48
Rot. Bonds2

About 5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 155545261) has the molecular formula C19H14F6N2O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID155545261
Molecular FormulaC19H14F6N2O2
Molecular Weight416.32 g/mol
Exact Mass416.10
IUPAC Name5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O2/c1-17(2)15(28)26(13-7-3-5-11(9-13)18(20,21)22)16(29)27(17)14-8-4-6-12(10-14)19(23,24)25/h3-10H,1-2H3
InChIKeyBDAVKCQCSWFGLV-UHFFFAOYSA-N
XLogP5.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 155545261) is 5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CC1(C)C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is BDAVKCQCSWFGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O2/c1-17(2)15(28)26(13-7-3-5-11(9-13)18(20,21)22)16(29)27(17)14-8-4-6-12(10-14)19(23,24)25/h3-10H,1-2H3.
What are the key properties of 5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 416.32 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 155545261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).