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

C24H25N5O3 — CID 92786816

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

N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 92786816) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
• PubChem CID: 92786816
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
• SMILES: Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)C2=O)cc1
• InChI: InChI=1S/C24H25N5O3/c1-17-9-11-19(12-10-17)24(2)22(31)28(23(32)26-24)16-21(30)27(3)14-18-13-25-29(15-18)20-7-5-4-6-8-20/h4-13,15H,14,16H2,1-3H3,(H,26,32)/t24-/m0/s1
• InChIKey: ZVFDBSVMMHCGAE-DEOSSOPVSA-N
• XLogP: 2.61
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.61
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 N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?

The IUPAC name of N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 92786816) is N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

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

The canonical SMILES for N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)C2=O)cc1.

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

The InChIKey is ZVFDBSVMMHCGAE-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17-9-11-19(12-10-17)24(2)22(31)28(23(32)26-24)16-21(30)27(3)14-18-13-25-29(15-18)20-7-5-4-6-8-20/h4-13,15H,14,16H2,1-3H3,(H,26,32)/t24-/m0/s1.

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

N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 92786816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).