N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide

C29H35N3O3 — CID 16994710

About N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide

N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide (PubChem CID 16994710) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
• PubChem CID: 16994710
• Molecular Formula: C29H35N3O3
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.27
• IUPAC Name: N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
• SMILES: CC(C)c1ccc(OCCCn2c(CCCCCNC(=O)c3ccco3)nc3ccccc32)cc1
• InChI: InChI=1S/C29H35N3O3/c1-22(2)23-14-16-24(17-15-23)34-21-9-19-32-26-11-6-5-10-25(26)31-28(32)13-4-3-7-18-30-29(33)27-12-8-20-35-27/h5-6,8,10-12,14-17,20,22H,3-4,7,9,13,18-19,21H2,1-2H3,(H,30,33)
• InChIKey: IIGBADRHNJRQRH-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	6.36
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-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?

The IUPAC name of N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide (CID 16994710) is N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide.

What is the SMILES notation for N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?

The canonical SMILES for N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide is CC(C)c1ccc(OCCCn2c(CCCCCNC(=O)c3ccco3)nc3ccccc32)cc1.

What is the InChIKey of N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?

The InChIKey is IIGBADRHNJRQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-22(2)23-14-16-24(17-15-23)34-21-9-19-32-26-11-6-5-10-25(26)31-28(32)13-4-3-7-18-30-29(33)27-12-8-20-35-27/h5-6,8,10-12,14-17,20,22H,3-4,7,9,13,18-19,21H2,1-2H3,(H,30,33).

What are the key properties of N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?

N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 6.36, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide is sourced from PubChem (CID 16994710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).