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

C28H24N4O3 — CID 75193835

IUPAC5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4)[nH]n(-c4ccccc4)c3=O)C2=O)c1
InChIInChI=1S/C28H24N4O3/c1-19-9-8-12-21(15-19)18-31-27(34)25(29-28(31)35)17-23-24(16-20-10-4-2-5-11-20)30-32(26(23)33)22-13-6-3-7-14-22/h2-15,17,30H,16,18H2,1H3,(H,29,35)
InChIKeyYJSJZWPYBUYKNV-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.16
Rot. Bonds6

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

5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 75193835) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID75193835
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4)[nH]n(-c4ccccc4)c3=O)C2=O)c1
InChIInChI=1S/C28H24N4O3/c1-19-9-8-12-21(15-19)18-31-27(34)25(29-28(31)35)17-23-24(16-20-10-4-2-5-11-20)30-32(26(23)33)22-13-6-3-7-14-22/h2-15,17,30H,16,18H2,1H3,(H,29,35)
InChIKeyYJSJZWPYBUYKNV-UHFFFAOYSA-N
XLogP4.16
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.16
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-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193880
3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 78460286
5-[(4-hydroxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 848307
3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione
CID 75193890
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245366
3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 75142013
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
3-[(2,4-difluorophenyl)methyl]-5-[[3-oxo-2-phenyl-5-(thiophen-2-ylmethyl)-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione
CID 75193934
methyl 3-[[4-[[5-ethyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 75193943
(5E)-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126252291
(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126254246
(5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126235278

Frequently Asked Questions

What is the IUPAC name of 5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (CID 75193835) is 5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1cccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4)[nH]n(-c4ccccc4)c3=O)C2=O)c1.
What is the InChIKey of 5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is YJSJZWPYBUYKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-19-9-8-12-21(15-19)18-31-27(34)25(29-28(31)35)17-23-24(16-20-10-4-2-5-11-20)30-32(26(23)33)22-13-6-3-7-14-22/h2-15,17,30H,16,18H2,1H3,(H,29,35).
What are the key properties of 5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 464.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 75193835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).