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

C19H13F6N3O4 — CID 155546492

IUPAC5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C19H13F6N3O4/c1-17(2)15(29)26(11-5-3-10(4-6-11)18(20,21)22)16(30)27(17)14-8-7-12(28(31)32)9-13(14)19(23,24)25/h3-9H,1-2H3
InChIKeyNAIVKHGYMDQGQA-UHFFFAOYSA-N
MW461.32 g/mol
LogP5.38
Rot. Bonds3

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

5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 155546492) has the molecular formula C19H13F6N3O4 and a molecular weight of 461.32 g/mol. Its IUPAC name is 5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID155546492
Molecular FormulaC19H13F6N3O4
Molecular Weight461.32 g/mol
Exact Mass461.08
IUPAC Name5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C19H13F6N3O4/c1-17(2)15(29)26(11-5-3-10(4-6-11)18(20,21)22)16(30)27(17)14-8-7-12(28(31)32)9-13(14)19(23,24)25/h3-9H,1-2H3
InChIKeyNAIVKHGYMDQGQA-UHFFFAOYSA-N
XLogP5.38
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.32
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 155546492) is 5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is NAIVKHGYMDQGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O4/c1-17(2)15(29)26(11-5-3-10(4-6-11)18(20,21)22)16(30)27(17)14-8-7-12(28(31)32)9-13(14)19(23,24)25/h3-9H,1-2H3.
What are the key properties of 5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 461.32 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 155546492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).