2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C24H28N4O4 — CID 71855524

About 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 71855524) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
• PubChem CID: 71855524
• Molecular Formula: C24H28N4O4
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
• SMILES: CC1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3ccccc3C2CO)C1=O
• InChI: InChI=1S/C24H28N4O4/c1-24(13-11-17-7-3-2-4-8-17)22(31)28(23(32)25-24)26-21(30)15-27-14-12-18-9-5-6-10-19(18)20(27)16-29/h2-10,20,29H,11-16H2,1H3,(H,25,32)(H,26,30)
• InChIKey: UYOUVTFSCXSZLS-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 101.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	1.55
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 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The IUPAC name of 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 71855524) is 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

What is the SMILES notation for 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The canonical SMILES for 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3ccccc3C2CO)C1=O.

What is the InChIKey of 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The InChIKey is UYOUVTFSCXSZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(13-11-17-7-3-2-4-8-17)22(31)28(23(32)25-24)26-21(30)15-27-14-12-18-9-5-6-10-19(18)20(27)16-29/h2-10,20,29H,11-16H2,1H3,(H,25,32)(H,26,30).

What are the key properties of 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 71855524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).