2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

C23H21F2N5O3 — CID 55844225

About 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 55844225) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
• PubChem CID: 55844225
• Molecular Formula: C23H21F2N5O3
• Molecular Weight: 453.45 g/mol
• Exact Mass: 453.16
• IUPAC Name: 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
• SMILES: Cc1cccc(Cn2nccc2NC(=O)CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)c1
• InChI: InChI=1S/C23H21F2N5O3/c1-14-4-3-5-15(10-14)12-30-19(8-9-26-30)27-20(31)13-29-21(32)23(2,28-22(29)33)17-11-16(24)6-7-18(17)25/h3-11H,12-13H2,1-2H3,(H,27,31)(H,28,33)
• InChIKey: NFYCFLJFUFZEPO-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.45
LogP ≤ 5	2.92
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-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?

The IUPAC name of 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (CID 55844225) is 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?

The canonical SMILES for 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is Cc1cccc(Cn2nccc2NC(=O)CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)c1.

What is the InChIKey of 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?

The InChIKey is NFYCFLJFUFZEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c1-14-4-3-5-15(10-14)12-30-19(8-9-26-30)27-20(31)13-29-21(32)23(2,28-22(29)33)17-11-16(24)6-7-18(17)25/h3-11H,12-13H2,1-2H3,(H,27,31)(H,28,33).

What are the key properties of 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?

2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 453.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 55844225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).