5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione

C22H24N4O3 — CID 60620112

IUPAC5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C)n(-c2ccc(CN3C(=O)NC(C)(c4cc(C)oc4C)C3=O)cc2)n1
InChIInChI=1S/C22H24N4O3/c1-13-10-14(2)26(24-13)18-8-6-17(7-9-18)12-25-20(27)22(5,23-21(25)28)19-11-15(3)29-16(19)4/h6-11H,12H2,1-5H3,(H,23,28)
InChIKeyWQFVVNPRWJTCNH-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.67
Rot. Bonds4

About 5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione

5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 60620112) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID60620112
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C)n(-c2ccc(CN3C(=O)NC(C)(c4cc(C)oc4C)C3=O)cc2)n1
InChIInChI=1S/C22H24N4O3/c1-13-10-14(2)26(24-13)18-8-6-17(7-9-18)12-25-20(27)22(5,23-21(25)28)19-11-15(3)29-16(19)4/h6-11H,12H2,1-5H3,(H,23,28)
InChIKeyWQFVVNPRWJTCNH-UHFFFAOYSA-N
XLogP3.67
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione (CID 60620112) is 5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C)n(-c2ccc(CN3C(=O)NC(C)(c4cc(C)oc4C)C3=O)cc2)n1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is WQFVVNPRWJTCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-10-14(2)26(24-13)18-8-6-17(7-9-18)12-25-20(27)22(5,23-21(25)28)19-11-15(3)29-16(19)4/h6-11H,12H2,1-5H3,(H,23,28).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 60620112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).