2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

C24H26N6O3 — CID 25443403

About 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 25443403) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
• PubChem CID: 25443403
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
• SMILES: C[C@H](NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(-n2cncn2)cc1
• InChI: InChI=1S/C24H26N6O3/c1-17(19-8-10-20(11-9-19)30-16-25-15-26-30)27-21(31)14-29-22(32)24(2,28-23(29)33)13-12-18-6-4-3-5-7-18/h3-11,15-17H,12-14H2,1-2H3,(H,27,31)(H,28,33)/t17-,24+/m0/s1
• InChIKey: LITWWZMDUFCHCQ-BXKMTCNYSA-N
• XLogP: 2.39
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?

The IUPAC name of 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (CID 25443403) is 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

What is the SMILES notation for 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?

The canonical SMILES for 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is C[C@H](NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(-n2cncn2)cc1.

What is the InChIKey of 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?

The InChIKey is LITWWZMDUFCHCQ-BXKMTCNYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-17(19-8-10-20(11-9-19)30-16-25-15-26-30)27-21(31)14-29-22(32)24(2,28-23(29)33)13-12-18-6-4-3-5-7-18/h3-11,15-17H,12-14H2,1-2H3,(H,27,31)(H,28,33)/t17-,24+/m0/s1.

What are the key properties of 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?

2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 446.51 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 25443403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).