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

C23H21F2N5O3 — CID 47094696

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

2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 47094696) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
• PubChem CID: 47094696
• Molecular Formula: C23H21F2N5O3
• Molecular Weight: 453.45 g/mol
• Exact Mass: 453.16
• IUPAC Name: 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
• SMILES: CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)NC(C)(c2ccc(F)c(F)c2)C1=O
• InChI: InChI=1S/C23H21F2N5O3/c1-23(16-8-9-18(24)19(25)10-16)21(32)29(22(33)27-23)14-20(31)28(2)12-15-11-26-30(13-15)17-6-4-3-5-7-17/h3-11,13H,12,14H2,1-2H3,(H,27,33)
• InChIKey: ZOCGPDKHQDFGOS-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• 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	2.58
H-Bond Donors ≤ 5	1
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-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?

The IUPAC name of 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 47094696) is 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

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

The canonical SMILES for 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)NC(C)(c2ccc(F)c(F)c2)C1=O.

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

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

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

2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 453.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 47094696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).