2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide

C26H32N4O5 — CID 16985813

About 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide (PubChem CID 16985813) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide
• PubChem CID: 16985813
• Molecular Formula: C26H32N4O5
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.24
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide
• SMILES: COc1ccc(CC(=O)NCCCc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1OC
• InChI: InChI=1S/C26H32N4O5/c1-33-22-10-9-19(16-23(22)34-2)17-25(31)27-11-5-8-24-28-20-6-3-4-7-21(20)30(24)18-26(32)29-12-14-35-15-13-29/h3-4,6-7,9-10,16H,5,8,11-15,17-18H2,1-2H3,(H,27,31)
• InChIKey: ICOVKIVTQFDZBW-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide (CID 16985813) is 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide is COc1ccc(CC(=O)NCCCc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1OC.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide?

The InChIKey is ICOVKIVTQFDZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-33-22-10-9-19(16-23(22)34-2)17-25(31)27-11-5-8-24-28-20-6-3-4-7-21(20)30(24)18-26(32)29-12-14-35-15-13-29/h3-4,6-7,9-10,16H,5,8,11-15,17-18H2,1-2H3,(H,27,31).

What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide?

2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide has a molecular weight of 480.57 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16985813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).