5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione

C28H23FN4O3 — CID 75193891

IUPAC5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc(-n2[nH]c(-c3ccccc3)c(C=C3NC(=O)N(Cc4cccc(F)c4)C3=O)c2=O)c1C
InChIInChI=1S/C28H23FN4O3/c1-17-8-6-13-24(18(17)2)33-26(34)22(25(31-33)20-10-4-3-5-11-20)15-23-27(35)32(28(36)30-23)16-19-9-7-12-21(29)14-19/h3-15,31H,16H2,1-2H3,(H,30,36)
InChIKeyVVCWSEOCTSQENF-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.68
Rot. Bonds5

About 5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione

5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 75193891) has the molecular formula C28H23FN4O3 and a molecular weight of 482.52 g/mol. Its IUPAC name is 5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID75193891
Molecular FormulaC28H23FN4O3
Molecular Weight482.52 g/mol
Exact Mass482.18
IUPAC Name5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc(-n2[nH]c(-c3ccccc3)c(C=C3NC(=O)N(Cc4cccc(F)c4)C3=O)c2=O)c1C
InChIInChI=1S/C28H23FN4O3/c1-17-8-6-13-24(18(17)2)33-26(34)22(25(31-33)20-10-4-3-5-11-20)15-23-27(35)32(28(36)30-23)16-19-9-7-12-21(29)14-19/h3-15,31H,16H2,1-2H3,(H,30,36)
InChIKeyVVCWSEOCTSQENF-UHFFFAOYSA-N
XLogP4.68
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193888
3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione
CID 75193890
5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75193820
5-[[2-(2,3-dimethylphenyl)-5-[(2-methylphenyl)methyl]-3-oxo-1H-pyrazol-4-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193785
5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 75193959
5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193880
5-[[5-(4-chlorophenyl)-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 75193982
(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 7323600
5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75193835
3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2927735
5-[(2,6-dimethylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 68654624
(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126120409

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 75193891) is 5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione is Cc1cccc(-n2[nH]c(-c3ccccc3)c(C=C3NC(=O)N(Cc4cccc(F)c4)C3=O)c2=O)c1C.
What is the InChIKey of 5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is VVCWSEOCTSQENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O3/c1-17-8-6-13-24(18(17)2)33-26(34)22(25(31-33)20-10-4-3-5-11-20)15-23-27(35)32(28(36)30-23)16-19-9-7-12-21(29)14-19/h3-15,31H,16H2,1-2H3,(H,30,36).
What are the key properties of 5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 482.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 75193891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).