N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

C26H33N5O3 — CID 30639648

About N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 30639648) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
• PubChem CID: 30639648
• Molecular Formula: C26H33N5O3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.26
• IUPAC Name: N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
• SMILES: Cc1cccc(CN2CCN(CC(=O)NN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)CC2)c1
• InChI: InChI=1S/C26H33N5O3/c1-20-7-6-10-22(17-20)18-29-13-15-30(16-14-29)19-23(32)28-31-24(33)26(2,27-25(31)34)12-11-21-8-4-3-5-9-21/h3-10,17H,11-16,18-19H2,1-2H3,(H,27,34)(H,28,32)/t26-/m1/s1
• InChIKey: BPXKGGADCCBHQT-AREMUKBSSA-N
• XLogP: 2.09
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	2.09
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 N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?

The IUPAC name of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 30639648) is N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is Cc1cccc(CN2CCN(CC(=O)NN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)CC2)c1.

What is the InChIKey of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?

The InChIKey is BPXKGGADCCBHQT-AREMUKBSSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-20-7-6-10-22(17-20)18-29-13-15-30(16-14-29)19-23(32)28-31-24(33)26(2,27-25(31)34)12-11-21-8-4-3-5-9-21/h3-10,17H,11-16,18-19H2,1-2H3,(H,27,34)(H,28,32)/t26-/m1/s1.

What are the key properties of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 463.58 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30639648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).