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

C23H20F2N4O3 — CID 75142013

IUPAC3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
SMILESCCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O
InChIInChI=1S/C23H20F2N4O3/c1-2-6-19-17(21(30)29(27-19)16-7-4-3-5-8-16)12-20-22(31)28(23(32)26-20)13-14-9-10-15(24)11-18(14)25/h3-5,7-12,27H,2,6,13H2,1H3,(H,26,32)
InChIKeyYDTXJNGTRGGNPP-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.49
Rot. Bonds6

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

3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 75142013) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
PubChem CID75142013
Molecular FormulaC23H20F2N4O3
Molecular Weight438.43 g/mol
Exact Mass438.15
IUPAC Name3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
SMILESCCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O
InChIInChI=1S/C23H20F2N4O3/c1-2-6-19-17(21(30)29(27-19)16-7-4-3-5-8-16)12-20-22(31)28(23(32)26-20)13-14-9-10-15(24)11-18(14)25/h3-5,7-12,27H,2,6,13H2,1H3,(H,26,32)
InChIKeyYDTXJNGTRGGNPP-UHFFFAOYSA-N
XLogP3.49
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.49
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

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
3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 78460286
5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193880
5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75193835
3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione
CID 75193890
5-[(2,6-dimethylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 68654624
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
2-(4-fluorophenyl)-4-(3-phenylpropyliminomethyl)-5-propyl-1H-pyrazol-3-one
CID 135643681
4-[(Z)-(1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 101179930
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126078723
(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 7323600
(5E)-5-[[1-(4-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126103325

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione (CID 75142013) is 3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione is CCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is YDTXJNGTRGGNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/c1-2-6-19-17(21(30)29(27-19)16-7-4-3-5-8-16)12-20-22(31)28(23(32)26-20)13-14-9-10-15(24)11-18(14)25/h3-5,7-12,27H,2,6,13H2,1H3,(H,26,32).
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 438.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 75142013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).