2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide

C26H25Cl2N3O — CID 51067007

About 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide

2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide (PubChem CID 51067007) has the molecular formula C26H25Cl2N3O and a molecular weight of 466.41 g/mol. Its IUPAC name is 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide.

Molecular Properties

• Compound Name: 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide
• PubChem CID: 51067007
• Molecular Formula: C26H25Cl2N3O
• Molecular Weight: 466.41 g/mol
• Exact Mass: 465.14
• IUPAC Name: 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide
• SMILES: CCCC(C(=O)Nc1cccc(C)c1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21
• InChI: InChI=1S/C26H25Cl2N3O/c1-3-8-24(26(32)29-18-10-6-9-17(2)15-18)31-23-14-5-4-13-22(23)30-25(31)16-19-20(27)11-7-12-21(19)28/h4-7,9-15,24H,3,8,16H2,1-2H3,(H,29,32)
• InChIKey: JWYNXJQOWPXCKN-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.41
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide?

The IUPAC name of 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide (CID 51067007) is 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide.

What is the SMILES notation for 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide?

The canonical SMILES for 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide is CCCC(C(=O)Nc1cccc(C)c1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21.

What is the InChIKey of 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide?

The InChIKey is JWYNXJQOWPXCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O/c1-3-8-24(26(32)29-18-10-6-9-17(2)15-18)31-23-14-5-4-13-22(23)30-25(31)16-19-20(27)11-7-12-21(19)28/h4-7,9-15,24H,3,8,16H2,1-2H3,(H,29,32).

What are the key properties of 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide?

2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide has a molecular weight of 466.41 g/mol, XLogP of 7.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide is sourced from PubChem (CID 51067007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).