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

C24H20Cl3N3O — CID 16979261

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

2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16979261) has the molecular formula C24H20Cl3N3O and a molecular weight of 472.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16979261
• Molecular Formula: C24H20Cl3N3O
• Molecular Weight: 472.80 g/mol
• Exact Mass: 471.07
• IUPAC Name: 2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
• SMILES: O=C(Cc1ccccc1Cl)NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C24H20Cl3N3O/c25-18-6-2-1-5-17(18)14-24(31)28-12-11-23-29-21-7-3-4-8-22(21)30(23)15-16-9-10-19(26)20(27)13-16/h1-10,13H,11-12,14-15H2,(H,28,31)
• InChIKey: FMODZEMCBMHIIG-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.80
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 16979261) is 2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

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

The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is O=C(Cc1ccccc1Cl)NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1.

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

The InChIKey is FMODZEMCBMHIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O/c25-18-6-2-1-5-17(18)14-24(31)28-12-11-23-29-21-7-3-4-8-22(21)30(23)15-16-9-10-19(26)20(27)13-16/h1-10,13H,11-12,14-15H2,(H,28,31).

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

2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 472.80 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16979261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).