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

C26H18F2N4O3 — CID 75193890

IUPAC3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2c(-c3ccccc3)[nH]n(-c3ccc(F)cc3)c2=O)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C26H18F2N4O3/c27-18-9-11-20(12-10-18)32-24(33)21(23(30-32)17-6-2-1-3-7-17)14-22-25(34)31(26(35)29-22)15-16-5-4-8-19(28)13-16/h1-14,30H,15H2,(H,29,35)
InChIKeyQGPQNBJTQSOCML-UHFFFAOYSA-N
MW472.45 g/mol
LogP4.20
Rot. Bonds5

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

3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 75193890) has the molecular formula C26H18F2N4O3 and a molecular weight of 472.45 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione
PubChem CID75193890
Molecular FormulaC26H18F2N4O3
Molecular Weight472.45 g/mol
Exact Mass472.13
IUPAC Name3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2c(-c3ccccc3)[nH]n(-c3ccc(F)cc3)c2=O)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C26H18F2N4O3/c27-18-9-11-20(12-10-18)32-24(33)21(23(30-32)17-6-2-1-3-7-17)14-22-25(34)31(26(35)29-22)15-16-5-4-8-19(28)13-16/h1-14,30H,15H2,(H,29,35)
InChIKeyQGPQNBJTQSOCML-UHFFFAOYSA-N
XLogP4.20
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 54.20
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193891
5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193880
5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 75193959
5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75193820
5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75193835
3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 75142013
(5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126016951
(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 7323600
5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 3747724
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
(5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione
CID 7206030

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione (CID 75193890) is 3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione is O=C1NC(=Cc2c(-c3ccccc3)[nH]n(-c3ccc(F)cc3)c2=O)C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is QGPQNBJTQSOCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4O3/c27-18-9-11-20(12-10-18)32-24(33)21(23(30-32)17-6-2-1-3-7-17)14-22-25(34)31(26(35)29-22)15-16-5-4-8-19(28)13-16/h1-14,30H,15H2,(H,29,35).
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione?
3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 472.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 75193890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).