2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C28H31N3O2 — CID 16972690

About 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16972690) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16972690
• Molecular Formula: C28H31N3O2
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.24
• IUPAC Name: 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
• SMILES: COc1ccc(CC(=O)NC(C)c2nc3ccccc3n2Cc2c(C)cc(C)cc2C)cc1
• InChI: InChI=1S/C28H31N3O2/c1-18-14-19(2)24(20(3)15-18)17-31-26-9-7-6-8-25(26)30-28(31)21(4)29-27(32)16-22-10-12-23(33-5)13-11-22/h6-15,21H,16-17H2,1-5H3,(H,29,32)
• InChIKey: GVTHSUNDOOTWJX-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?

The IUPAC name of 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 16972690) is 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?

The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is COc1ccc(CC(=O)NC(C)c2nc3ccccc3n2Cc2c(C)cc(C)cc2C)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?

The InChIKey is GVTHSUNDOOTWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-18-14-19(2)24(20(3)15-18)17-31-26-9-7-6-8-25(26)30-28(31)21(4)29-27(32)16-22-10-12-23(33-5)13-11-22/h6-15,21H,16-17H2,1-5H3,(H,29,32).

What are the key properties of 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?

2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 441.58 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16972690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).