N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide

C27H27ClFN3O — CID 16993346

About N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide

N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide (PubChem CID 16993346) has the molecular formula C27H27ClFN3O and a molecular weight of 463.98 g/mol. Its IUPAC name is N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
• PubChem CID: 16993346
• Molecular Formula: C27H27ClFN3O
• Molecular Weight: 463.98 g/mol
• Exact Mass: 463.18
• IUPAC Name: N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)NCCCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl
• InChI: InChI=1S/C27H27ClFN3O/c28-22-12-9-13-23(29)21(22)19-32-25-15-7-6-14-24(25)31-26(32)16-5-2-8-17-30-27(33)18-20-10-3-1-4-11-20/h1,3-4,6-7,9-15H,2,5,8,16-19H2,(H,30,33)
• InChIKey: CFFHHKNSXJWRSE-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.98
LogP ≤ 5	5.95
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 N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?

The IUPAC name of N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide (CID 16993346) is N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide.

What is the SMILES notation for N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?

The canonical SMILES for N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl.

What is the InChIKey of N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?

The InChIKey is CFFHHKNSXJWRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFN3O/c28-22-12-9-13-23(29)21(22)19-32-25-15-7-6-14-24(25)31-26(32)16-5-2-8-17-30-27(33)18-20-10-3-1-4-11-20/h1,3-4,6-7,9-15H,2,5,8,16-19H2,(H,30,33).

What are the key properties of N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?

N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide has a molecular weight of 463.98 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide is sourced from PubChem (CID 16993346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).