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

C24H24N4O3 — CID 78460286

IUPAC3-[(4-methylphenyl)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(C)cc2)C1=O
InChIInChI=1S/C24H24N4O3/c1-3-7-20-19(22(29)28(26-20)18-8-5-4-6-9-18)14-21-23(30)27(24(31)25-21)15-17-12-10-16(2)11-13-17/h4-6,8-14,26H,3,7,15H2,1-2H3,(H,25,31)
InChIKeyBSGIYLGWXNJNME-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.52
Rot. Bonds6

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

3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 78460286) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
PubChem CID78460286
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-[(4-methylphenyl)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(C)cc2)C1=O
InChIInChI=1S/C24H24N4O3/c1-3-7-20-19(22(29)28(26-20)18-8-5-4-6-9-18)14-21-23(30)27(24(31)25-21)15-17-12-10-16(2)11-13-17/h4-6,8-14,26H,3,7,15H2,1-2H3,(H,25,31)
InChIKeyBSGIYLGWXNJNME-UHFFFAOYSA-N
XLogP3.52
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione (CID 78460286) is 3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-methylphenyl)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(C)cc2)C1=O.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is BSGIYLGWXNJNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-3-7-20-19(22(29)28(26-20)18-8-5-4-6-9-18)14-21-23(30)27(24(31)25-21)15-17-12-10-16(2)11-13-17/h4-6,8-14,26H,3,7,15H2,1-2H3,(H,25,31).
What are the key properties of 3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 416.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 78460286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).