3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione

C22H19F3N4O2 — CID 174174053

IUPAC3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione
SMILESCn1cnc(-c2cc(C3(C)C(=O)CNC3=O)ccc2Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H19F3N4O2/c1-21(19(30)10-26-20(21)31)14-5-8-17(16(9-14)18-11-29(2)12-27-18)28-15-6-3-13(4-7-15)22(23,24)25/h3-9,11-12,28H,10H2,1-2H3,(H,26,31)
InChIKeyQMVSFGCPFFJUPF-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.81
Rot. Bonds4

About 3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione

3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione (PubChem CID 174174053) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione
PubChem CID174174053
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione
SMILESCn1cnc(-c2cc(C3(C)C(=O)CNC3=O)ccc2Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H19F3N4O2/c1-21(19(30)10-26-20(21)31)14-5-8-17(16(9-14)18-11-29(2)12-27-18)28-15-6-3-13(4-7-15)22(23,24)25/h3-9,11-12,28H,10H2,1-2H3,(H,26,31)
InChIKeyQMVSFGCPFFJUPF-UHFFFAOYSA-N
XLogP3.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]methyl]imidazolidin-2-one
CID 170739668
4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 159363476
2-cyclopropyl-1-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]ethanone
CID 167565620
4-dimethylphosphoryl-2-(1-methylimidazol-4-yl)-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline;ethane;2-(1-methylimidazol-4-yl)-4-(phospholan-1-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169246488
N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 163393892
4-dimethylphosphoryl-2-(1-methylimidazol-4-yl)-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline
CID 169246479
2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 163393543
3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
CID 167308173
5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 155344275
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 163393358
4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 138682511
4-[[5-[cyclopropyloxy(difluoro)methyl]-2-pyridinyl]amino]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 166161977

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione?
The IUPAC name of 3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione (CID 174174053) is 3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione?
The canonical SMILES for 3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione is Cn1cnc(-c2cc(C3(C)C(=O)CNC3=O)ccc2Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione?
The InChIKey is QMVSFGCPFFJUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-21(19(30)10-26-20(21)31)14-5-8-17(16(9-14)18-11-29(2)12-27-18)28-15-6-3-13(4-7-15)22(23,24)25/h3-9,11-12,28H,10H2,1-2H3,(H,26,31).
What are the key properties of 3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione?
3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione has a molecular weight of 428.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 174174053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).