N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide

C26H29N3O3 — CID 16994676

About N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide

N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide (PubChem CID 16994676) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
• PubChem CID: 16994676
• Molecular Formula: C26H29N3O3
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.22
• IUPAC Name: N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
• SMILES: Cc1cccc(OCCn2c(CCCCCNC(=O)c3ccco3)nc3ccccc32)c1
• InChI: InChI=1S/C26H29N3O3/c1-20-9-7-10-21(19-20)31-18-16-29-23-12-5-4-11-22(23)28-25(29)14-3-2-6-15-27-26(30)24-13-8-17-32-24/h4-5,7-13,17,19H,2-3,6,14-16,18H2,1H3,(H,27,30)
• InChIKey: RKVAAZRWRZUMMC-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?

The IUPAC name of N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide (CID 16994676) is N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide.

What is the SMILES notation for N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?

The canonical SMILES for N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide is Cc1cccc(OCCn2c(CCCCCNC(=O)c3ccco3)nc3ccccc32)c1.

What is the InChIKey of N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?

The InChIKey is RKVAAZRWRZUMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-20-9-7-10-21(19-20)31-18-16-29-23-12-5-4-11-22(23)28-25(29)14-3-2-6-15-27-26(30)24-13-8-17-32-24/h4-5,7-13,17,19H,2-3,6,14-16,18H2,1H3,(H,27,30).

What are the key properties of N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?

N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide is sourced from PubChem (CID 16994676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).