2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide

C29H33N3O5 — CID 16972884

About 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16972884) has the molecular formula C29H33N3O5 and a molecular weight of 503.60 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16972884
• Molecular Formula: C29H33N3O5
• Molecular Weight: 503.60 g/mol
• Exact Mass: 503.24
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
• SMILES: CCOc1ccccc1OCCn1c(C(C)NC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21
• InChI: InChI=1S/C29H33N3O5/c1-5-36-25-12-8-9-13-26(25)37-17-16-32-23-11-7-6-10-22(23)31-29(32)20(2)30-28(33)19-21-14-15-24(34-3)27(18-21)35-4/h6-15,18,20H,5,16-17,19H2,1-4H3,(H,30,33)
• InChIKey: GTOQAGLVFASVJI-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 83.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.60
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16972884) is 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.

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

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is CCOc1ccccc1OCCn1c(C(C)NC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21.

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

The InChIKey is GTOQAGLVFASVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O5/c1-5-36-25-12-8-9-13-26(25)37-17-16-32-23-11-7-6-10-22(23)31-29(32)20(2)30-28(33)19-21-14-15-24(34-3)27(18-21)35-4/h6-15,18,20H,5,16-17,19H2,1-4H3,(H,30,33).

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

2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 503.60 g/mol, XLogP of 4.95, 12 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-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16972884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).