N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C25H27N5O5 — CID 41292024

About N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 41292024) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
• PubChem CID: 41292024
• Molecular Formula: C25H27N5O5
• Molecular Weight: 477.52 g/mol
• Exact Mass: 477.20
• IUPAC Name: N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
• SMILES: C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)C1=O
• InChI: InChI=1S/C25H27N5O5/c1-25(14-13-17-6-3-2-4-7-17)23(34)30(24(35)27-25)28-20(31)16-26-22(33)18-9-11-19(12-10-18)29-15-5-8-21(29)32/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,26,33)(H,27,35)(H,28,31)/t25-/m0/s1
• InChIKey: FGZMEJYQAZISOU-VWLOTQADSA-N
• XLogP: 1.52
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.52
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	3
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-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?

The IUPAC name of N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 41292024) is N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

What is the SMILES notation for N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?

The canonical SMILES for N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)C1=O.

What is the InChIKey of N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?

The InChIKey is FGZMEJYQAZISOU-VWLOTQADSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-25(14-13-17-6-3-2-4-7-17)23(34)30(24(35)27-25)28-20(31)16-26-22(33)18-9-11-19(12-10-18)29-15-5-8-21(29)32/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,26,33)(H,27,35)(H,28,31)/t25-/m0/s1.

What are the key properties of N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?

N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 477.52 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 41292024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).