5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione

C24H22F3N3O2 — CID 17424716

IUPAC5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C24H22F3N3O2/c1-23(20-12-9-17-5-3-4-6-18(17)13-20)21(31)30(22(32)28-23)15-29(2)14-16-7-10-19(11-8-16)24(25,26)27/h3-13H,14-15H2,1-2H3,(H,28,32)
InChIKeyIHTYZLVBHRRQHU-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.72
Rot. Bonds5

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

5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 17424716) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID17424716
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C24H22F3N3O2/c1-23(20-12-9-17-5-3-4-6-18(17)13-20)21(31)30(22(32)28-23)15-29(2)14-16-7-10-19(11-8-16)24(25,26)27/h3-13H,14-15H2,1-2H3,(H,28,32)
InChIKeyIHTYZLVBHRRQHU-UHFFFAOYSA-N
XLogP4.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.72
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 5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 17424716) is 5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione is CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of 5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is IHTYZLVBHRRQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-23(20-12-9-17-5-3-4-6-18(17)13-20)21(31)30(22(32)28-23)15-29(2)14-16-7-10-19(11-8-16)24(25,26)27/h3-13H,14-15H2,1-2H3,(H,28,32).
What are the key properties of 5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 441.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 17424716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).