N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide

C26H24ClN3O3 — CID 16972817

About N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide

N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16972817) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 16972817
• Molecular Formula: C26H24ClN3O3
• Molecular Weight: 461.95 g/mol
• Exact Mass: 461.15
• IUPAC Name: N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(CC(=O)NC(C)c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C26H24ClN3O3/c1-17(28-25(32)15-18-7-13-21(33-2)14-8-18)26-29-22-5-3-4-6-23(22)30(26)16-24(31)19-9-11-20(27)12-10-19/h3-14,17H,15-16H2,1-2H3,(H,28,32)
• InChIKey: HHYWFRKNVQQBNF-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.95
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide (CID 16972817) is N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(C)c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)cc1.

What is the InChIKey of N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide?

The InChIKey is HHYWFRKNVQQBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-17(28-25(32)15-18-7-13-21(33-2)14-8-18)26-29-22-5-3-4-6-23(22)30(26)16-24(31)19-9-11-20(27)12-10-19/h3-14,17H,15-16H2,1-2H3,(H,28,32).

What are the key properties of N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide?

N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 461.95 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16972817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).