(5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

C22H17F3N2O2 — CID 7180112

IUPAC(5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C22H17F3N2O2/c1-21(18-12-6-9-14-7-2-4-10-16(14)18)19(28)27(20(29)26-21)13-15-8-3-5-11-17(15)22(23,24)25/h2-12H,13H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyFJQMNLYEQHHUOY-NRFANRHFSA-N
MW398.38 g/mol
LogP4.83
Rot. Bonds3

About (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 7180112) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID7180112
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name(5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C22H17F3N2O2/c1-21(18-12-6-9-14-7-2-4-10-16(14)18)19(28)27(20(29)26-21)13-15-8-3-5-11-17(15)22(23,24)25/h2-12H,13H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyFJQMNLYEQHHUOY-NRFANRHFSA-N
XLogP4.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]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 (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 7180112) is (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is FJQMNLYEQHHUOY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-21(18-12-6-9-14-7-2-4-10-16(14)18)19(28)27(20(29)26-21)13-15-8-3-5-11-17(15)22(23,24)25/h2-12H,13H2,1H3,(H,26,29)/t21-/m0/s1.
What are the key properties of (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 398.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-naphthalen-1-yl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7180112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).