5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione

C19H16F3N3O5 — CID 60524357

IUPAC5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(OCC(F)(F)F)cc2)C1=O
InChIInChI=1S/C19H16F3N3O5/c1-18(13-4-6-14(7-5-13)25(28)29)16(26)24(17(27)23-18)10-12-2-8-15(9-3-12)30-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,23,27)
InChIKeySZMJIQBLHJGDJJ-UHFFFAOYSA-N
MW423.35 g/mol
LogP3.50
Rot. Bonds6

About 5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione

5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 60524357) has the molecular formula C19H16F3N3O5 and a molecular weight of 423.35 g/mol. Its IUPAC name is 5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID60524357
Molecular FormulaC19H16F3N3O5
Molecular Weight423.35 g/mol
Exact Mass423.10
IUPAC Name5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(OCC(F)(F)F)cc2)C1=O
InChIInChI=1S/C19H16F3N3O5/c1-18(13-4-6-14(7-5-13)25(28)29)16(26)24(17(27)23-18)10-12-2-8-15(9-3-12)30-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,23,27)
InChIKeySZMJIQBLHJGDJJ-UHFFFAOYSA-N
XLogP3.50
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)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

Related Compounds

(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7812605
(5S)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7242913
3-[(3,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 42964351
5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 17395982
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 17397810
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180260
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
(5S)-3-[(2,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180278
5-(2,5-difluorophenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 46824039
(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 41080939
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
2-methyl-1-[(4-nitrophenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111871558

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione (CID 60524357) is 5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione is CC1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(OCC(F)(F)F)cc2)C1=O.
What is the InChIKey of 5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is SZMJIQBLHJGDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O5/c1-18(13-4-6-14(7-5-13)25(28)29)16(26)24(17(27)23-18)10-12-2-8-15(9-3-12)30-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,23,27).
What are the key properties of 5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione?
5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 423.35 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60524357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).