3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

C24H22F3N3O2 — CID 17466445

IUPAC3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CN(Cc2ccccc2)CC(F)(F)F)C1=O
InChIInChI=1S/C24H22F3N3O2/c1-23(20-12-11-18-9-5-6-10-19(18)13-20)21(31)30(22(32)28-23)16-29(15-24(25,26)27)14-17-7-3-2-4-8-17/h2-13H,14-16H2,1H3,(H,28,32)
InChIKeyMUNACASYBPQNEE-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.63
Rot. Bonds6

About 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 17466445) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID17466445
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CN(Cc2ccccc2)CC(F)(F)F)C1=O
InChIInChI=1S/C24H22F3N3O2/c1-23(20-12-11-18-9-5-6-10-19(18)13-20)21(31)30(22(32)28-23)16-29(15-24(25,26)27)14-17-7-3-2-4-8-17/h2-13H,14-16H2,1H3,(H,28,32)
InChIKeyMUNACASYBPQNEE-UHFFFAOYSA-N
XLogP4.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-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 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 17466445) is 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CC1(c2ccc3ccccc3c2)NC(=O)N(CN(Cc2ccccc2)CC(F)(F)F)C1=O.
What is the InChIKey of 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is MUNACASYBPQNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-23(20-12-11-18-9-5-6-10-19(18)13-20)21(31)30(22(32)28-23)16-29(15-24(25,26)27)14-17-7-3-2-4-8-17/h2-13H,14-16H2,1H3,(H,28,32).
What are the key properties of 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 441.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 17466445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).