N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide

C26H25ClN4O3 — CID 50749798

About N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide

N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 50749798) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide
• PubChem CID: 50749798
• Molecular Formula: C26H25ClN4O3
• Molecular Weight: 476.96 g/mol
• Exact Mass: 476.16
• IUPAC Name: N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide
• SMILES: COc1ccccc1OCC(=O)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1C
• InChI: InChI=1S/C26H25ClN4O3/c1-17-13-19(30-11-12-31-22-10-7-18(27)14-21(22)28-25(31)15-30)8-9-20(17)29-26(32)16-34-24-6-4-3-5-23(24)33-2/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,29,32)
• InChIKey: IGQPRGBPWFLKMZ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.96
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide?

The IUPAC name of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide (CID 50749798) is N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide.

What is the SMILES notation for N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide?

The canonical SMILES for N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1C.

What is the InChIKey of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide?

The InChIKey is IGQPRGBPWFLKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-17-13-19(30-11-12-31-22-10-7-18(27)14-21(22)28-25(31)15-30)8-9-20(17)29-26(32)16-34-24-6-4-3-5-23(24)33-2/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,29,32).

What are the key properties of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide?

N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 476.96 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 50749798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).