2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

C27H26Cl3N3O — CID 16993675

About 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993675) has the molecular formula C27H26Cl3N3O and a molecular weight of 514.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993675
• Molecular Formula: C27H26Cl3N3O
• Molecular Weight: 514.88 g/mol
• Exact Mass: 513.11
• IUPAC Name: 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: O=C(Cc1ccccc1Cl)NCCCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C27H26Cl3N3O/c28-21-9-4-3-8-20(21)17-27(34)31-15-7-1-2-12-26-32-24-10-5-6-11-25(24)33(26)18-19-13-14-22(29)23(30)16-19/h3-6,8-11,13-14,16H,1-2,7,12,15,17-18H2,(H,31,34)
• InChIKey: JKTAKYJBARBSGI-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.88
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993675) is 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is O=C(Cc1ccccc1Cl)NCCCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1.

What is the InChIKey of 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is JKTAKYJBARBSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl3N3O/c28-21-9-4-3-8-20(21)17-27(34)31-15-7-1-2-12-26-32-24-10-5-6-11-25(24)33(26)18-19-13-14-22(29)23(30)16-19/h3-6,8-11,13-14,16H,1-2,7,12,15,17-18H2,(H,31,34).

What are the key properties of 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 514.88 g/mol, XLogP of 7.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).