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

C26H18ClFN4O3 — CID 75193888

IUPAC5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2c(-c3ccccc3)[nH]n(-c3ccccc3Cl)c2=O)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C26H18ClFN4O3/c27-20-11-4-5-12-22(20)32-24(33)19(23(30-32)17-8-2-1-3-9-17)14-21-25(34)31(26(35)29-21)15-16-7-6-10-18(28)13-16/h1-14,30H,15H2,(H,29,35)
InChIKeyZFVLNUZNPDRTGB-UHFFFAOYSA-N
MW488.91 g/mol
LogP4.72
Rot. Bonds5

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

5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 75193888) has the molecular formula C26H18ClFN4O3 and a molecular weight of 488.91 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID75193888
Molecular FormulaC26H18ClFN4O3
Molecular Weight488.91 g/mol
Exact Mass488.11
IUPAC Name5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2c(-c3ccccc3)[nH]n(-c3ccccc3Cl)c2=O)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C26H18ClFN4O3/c27-20-11-4-5-12-22(20)32-24(33)19(23(30-32)17-8-2-1-3-9-17)14-21-25(34)31(26(35)29-21)15-16-7-6-10-18(28)13-16/h1-14,30H,15H2,(H,29,35)
InChIKeyZFVLNUZNPDRTGB-UHFFFAOYSA-N
XLogP4.72
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.91
LogP ≤ 54.72
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-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193891
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-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
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245366
5-[[5-(4-chlorophenyl)-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 75193982
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6269109
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5411550
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
(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 7323600
(5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126016951

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 75193888) is 5-[[2-(2-chlorophenyl)-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-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione is O=C1NC(=Cc2c(-c3ccccc3)[nH]n(-c3ccccc3Cl)c2=O)C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZFVLNUZNPDRTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN4O3/c27-20-11-4-5-12-22(20)32-24(33)19(23(30-32)17-8-2-1-3-9-17)14-21-25(34)31(26(35)29-21)15-16-7-6-10-18(28)13-16/h1-14,30H,15H2,(H,29,35).
What are the key properties of 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 488.91 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 75193888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).