N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide

C28H29Cl2N3O2 — CID 16993993

About N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide

N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16993993) has the molecular formula C28H29Cl2N3O2 and a molecular weight of 510.47 g/mol. Its IUPAC name is N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 16993993
• Molecular Formula: C28H29Cl2N3O2
• Molecular Weight: 510.47 g/mol
• Exact Mass: 509.16
• IUPAC Name: N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(CC(=O)NCCCCCc2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1
• InChI: InChI=1S/C28H29Cl2N3O2/c1-35-21-15-13-20(14-16-21)18-28(34)31-17-6-2-3-12-27-32-25-10-4-5-11-26(25)33(27)19-22-23(29)8-7-9-24(22)30/h4-5,7-11,13-16H,2-3,6,12,17-19H2,1H3,(H,31,34)
• InChIKey: XVVLLSYDYHBYMZ-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.47
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide (CID 16993993) is N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCCCCc2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1.

What is the InChIKey of N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide?

The InChIKey is XVVLLSYDYHBYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N3O2/c1-35-21-15-13-20(14-16-21)18-28(34)31-17-6-2-3-12-27-32-25-10-4-5-11-26(25)33(27)19-22-23(29)8-7-9-24(22)30/h4-5,7-11,13-16H,2-3,6,12,17-19H2,1H3,(H,31,34).

What are the key properties of N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide?

N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 510.47 g/mol, XLogP of 6.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16993993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).