N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide

C32H36N4O4 — CID 4671721

About N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide

N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide (PubChem CID 4671721) has the molecular formula C32H36N4O4 and a molecular weight of 540.66 g/mol. Its IUPAC name is N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
• PubChem CID: 4671721
• Molecular Formula: C32H36N4O4
• Molecular Weight: 540.66 g/mol
• Exact Mass: 540.27
• IUPAC Name: N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
• SMILES: CCOCN(C(=O)Cn1c(C2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21)c1c(C)cccc1CC
• InChI: InChI=1S/C32H36N4O4/c1-5-23-13-11-12-22(3)31(23)36(21-40-6-2)30(38)20-35-26-15-8-7-14-25(26)33-32(35)24-18-29(37)34(19-24)27-16-9-10-17-28(27)39-4/h7-17,24H,5-6,18-21H2,1-4H3
• InChIKey: WTARBZPOEKHKDB-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 76.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.66
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?

The IUPAC name of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide (CID 4671721) is N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide.

What is the SMILES notation for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?

The canonical SMILES for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide is CCOCN(C(=O)Cn1c(C2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21)c1c(C)cccc1CC.

What is the InChIKey of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?

The InChIKey is WTARBZPOEKHKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O4/c1-5-23-13-11-12-22(3)31(23)36(21-40-6-2)30(38)20-35-26-15-8-7-14-25(26)33-32(35)24-18-29(37)34(19-24)27-16-9-10-17-28(27)39-4/h7-17,24H,5-6,18-21H2,1-4H3.

What are the key properties of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?

N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide has a molecular weight of 540.66 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4671721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).