N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide

C28H31N3O2 — CID 16989180

About N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide

N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide (PubChem CID 16989180) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
• PubChem CID: 16989180
• Molecular Formula: C28H31N3O2
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.24
• IUPAC Name: N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
• SMILES: O=C(NCCCCCc1nc2ccccc2n1CCOc1cccc2ccccc12)C1CC1
• InChI: InChI=1S/C28H31N3O2/c32-28(22-16-17-22)29-18-7-1-2-15-27-30-24-12-5-6-13-25(24)31(27)19-20-33-26-14-8-10-21-9-3-4-11-23(21)26/h3-6,8-14,22H,1-2,7,15-20H2,(H,29,32)
• InChIKey: LVFNJRHTPQGUIZ-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	5.51
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-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide (CID 16989180) is N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide is O=C(NCCCCCc1nc2ccccc2n1CCOc1cccc2ccccc12)C1CC1.

What is the InChIKey of N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?

The InChIKey is LVFNJRHTPQGUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c32-28(22-16-17-22)29-18-7-1-2-15-27-30-24-12-5-6-13-25(24)31(27)19-20-33-26-14-8-10-21-9-3-4-11-23(21)26/h3-6,8-14,22H,1-2,7,15-20H2,(H,29,32).

What are the key properties of N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?

N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide has a molecular weight of 441.58 g/mol, XLogP of 5.51, 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-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide is sourced from PubChem (CID 16989180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).