(5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione

C24H22N4O3 — CID 7206030

IUPAC(5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione
SMILESC=CCCN1C(=O)N/C(=C\c2c(-c3ccccc3)[nH]n(Cc3ccccc3)c2=O)C1=O
InChIInChI=1S/C24H22N4O3/c1-2-3-14-27-23(30)20(25-24(27)31)15-19-21(18-12-8-5-9-13-18)26-28(22(19)29)16-17-10-6-4-7-11-17/h2,4-13,15,26H,1,3,14,16H2,(H,25,31)/b20-15-
InChIKeyJSSYSLVFHBWVBG-HKWRFOASSA-N
MW414.47 g/mol
LogP3.36
Rot. Bonds7

About (5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione

(5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione (PubChem CID 7206030) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is (5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione
PubChem CID7206030
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name(5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione
SMILESC=CCCN1C(=O)N/C(=C\c2c(-c3ccccc3)[nH]n(Cc3ccccc3)c2=O)C1=O
InChIInChI=1S/C24H22N4O3/c1-2-3-14-27-23(30)20(25-24(27)31)15-19-21(18-12-8-5-9-13-18)26-28(22(19)29)16-17-10-6-4-7-11-17/h2,4-13,15,26H,1,3,14,16H2,(H,25,31)/b20-15-
InChIKeyJSSYSLVFHBWVBG-HKWRFOASSA-N
XLogP3.36
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione
CID 7205698
5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75193820
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-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193888
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-(4-chlorophenyl)-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 75193982
(5Z)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126203245
5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193891
4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one
CID 104844877
3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 1209510
(5Z)-5-[(1-benzyl-3-phenylpyrazol-4-yl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6135623
(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 2715910

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione (CID 7206030) is (5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione is C=CCCN1C(=O)N/C(=C\c2c(-c3ccccc3)[nH]n(Cc3ccccc3)c2=O)C1=O.
What is the InChIKey of (5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione?
The InChIKey is JSSYSLVFHBWVBG-HKWRFOASSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-3-14-27-23(30)20(25-24(27)31)15-19-21(18-12-8-5-9-13-18)26-28(22(19)29)16-17-10-6-4-7-11-17/h2,4-13,15,26H,1,3,14,16H2,(H,25,31)/b20-15-.
What are the key properties of (5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione?
(5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione has a molecular weight of 414.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione is sourced from PubChem (CID 7206030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).