(5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione

C24H24FN3O2 — CID 50864236

IUPAC(5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21
InChIInChI=1S/C24H24FN3O2/c1-15-13-24(2,3)27(4)21-10-7-17(11-19(15)21)12-20-22(29)28(23(30)26-20)14-16-5-8-18(25)9-6-16/h5-13H,14H2,1-4H3,(H,26,30)/b20-12+
InChIKeyVHTVDAIYMICWKR-UDWIEESQSA-N
MW405.47 g/mol
LogP4.55
Rot. Bonds3

About (5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 50864236) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is (5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
PubChem CID50864236
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name(5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21
InChIInChI=1S/C24H24FN3O2/c1-15-13-24(2,3)27(4)21-10-7-17(11-19(15)21)12-20-22(29)28(23(30)26-20)14-16-5-8-18(25)9-6-16/h5-13H,14H2,1-4H3,(H,26,30)/b20-12+
InChIKeyVHTVDAIYMICWKR-UDWIEESQSA-N
XLogP4.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50865515
(5E)-5-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 50865106
2-[(4E)-2,5-dioxo-4-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 50864262
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 99887281
3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
CID 2925774
(5E)-3-[(2-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50865522
(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50865627
(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 750602
(5E)-1-(3-fluorophenyl)-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 99887377
(5Z)-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 132666681
(5E)-3-[(4-chlorophenyl)methyl]-5-[(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50869158
(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50869029

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione (CID 50864236) is (5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione is CC1=CC(C)(C)N(C)c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21.
What is the InChIKey of (5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is VHTVDAIYMICWKR-UDWIEESQSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-15-13-24(2,3)27(4)21-10-7-17(11-19(15)21)12-20-22(29)28(23(30)26-20)14-16-5-8-18(25)9-6-16/h5-13H,14H2,1-4H3,(H,26,30)/b20-12+.
What are the key properties of (5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 405.47 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 50864236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).