2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide

C27H28ClN3O2 — CID 16979441

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

2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16979441) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16979441
• Molecular Formula: C27H28ClN3O2
• Molecular Weight: 461.99 g/mol
• Exact Mass: 461.19
• IUPAC Name: 2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
• SMILES: Cc1cccc(OCCn2c(CCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)c1C
• InChI: InChI=1S/C27H28ClN3O2/c1-19-6-5-9-25(20(19)2)33-17-16-31-24-8-4-3-7-23(24)30-26(31)14-15-29-27(32)18-21-10-12-22(28)13-11-21/h3-13H,14-18H2,1-2H3,(H,29,32)
• InChIKey: QETNUIDJHDSABK-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.99
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16979441) is 2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.

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

The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is Cc1cccc(OCCn2c(CCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)c1C.

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

The InChIKey is QETNUIDJHDSABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c1-19-6-5-9-25(20(19)2)33-17-16-31-24-8-4-3-7-23(24)30-26(31)14-15-29-27(32)18-21-10-12-22(28)13-11-21/h3-13H,14-18H2,1-2H3,(H,29,32).

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

2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 461.99 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16979441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).