2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C23H21N5O5 — CID 2554997

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H21N5O5/c1-15-19(20(30)28(25(15)2)17-11-7-4-8-12-17)24-18(29)14-27-22(32)21(31)26(23(27)33)13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3,(H,24,29)
InChIKeyZYOPDVMHXBLZGX-UHFFFAOYSA-N
MW447.45 g/mol
LogP1.41
Rot. Bonds6

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 2554997) has the molecular formula C23H21N5O5 and a molecular weight of 447.45 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID2554997
Molecular FormulaC23H21N5O5
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H21N5O5/c1-15-19(20(30)28(25(15)2)17-11-7-4-8-12-17)24-18(29)14-27-22(32)21(31)26(23(27)33)13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3,(H,24,29)
InChIKeyZYOPDVMHXBLZGX-UHFFFAOYSA-N
XLogP1.41
TPSA113.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 2554997) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1c(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is ZYOPDVMHXBLZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5/c1-15-19(20(30)28(25(15)2)17-11-7-4-8-12-17)24-18(29)14-27-22(32)21(31)26(23(27)33)13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3,(H,24,29).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 447.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 2554997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).