2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide

C23H22FN5O3 — CID 86894064

About 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide

2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 86894064) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
• PubChem CID: 86894064
• Molecular Formula: C23H22FN5O3
• Molecular Weight: 435.46 g/mol
• Exact Mass: 435.17
• IUPAC Name: 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
• SMILES: CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccnn2Cc2ccccc2F)C1=O
• InChI: InChI=1S/C23H22FN5O3/c1-2-23(17-9-4-3-5-10-17)21(31)28(22(32)27-23)15-20(30)26-19-12-13-25-29(19)14-16-8-6-7-11-18(16)24/h3-13H,2,14-15H2,1H3,(H,26,30)(H,27,32)
• InChIKey: YZLOCYWMLZPLPM-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.46
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide?

The IUPAC name of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 86894064) is 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide?

The canonical SMILES for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccnn2Cc2ccccc2F)C1=O.

What is the InChIKey of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide?

The InChIKey is YZLOCYWMLZPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-2-23(17-9-4-3-5-10-17)21(31)28(22(32)27-23)15-20(30)26-19-12-13-25-29(19)14-16-8-6-7-11-18(16)24/h3-13H,2,14-15H2,1H3,(H,26,30)(H,27,32).

What are the key properties of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide?

2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 435.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 86894064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).