N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

C25H31N3O2 — CID 16969723

About N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 16969723) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
• PubChem CID: 16969723
• Molecular Formula: C25H31N3O2
• Molecular Weight: 405.54 g/mol
• Exact Mass: 405.24
• IUPAC Name: N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
• SMILES: Cc1ccc(C)c(OCCCCn2c(C(C)NC(=O)C3CC3)nc3ccccc32)c1
• InChI: InChI=1S/C25H31N3O2/c1-17-10-11-18(2)23(16-17)30-15-7-6-14-28-22-9-5-4-8-21(22)27-24(28)19(3)26-25(29)20-12-13-20/h4-5,8-11,16,19-20H,6-7,12-15H2,1-3H3,(H,26,29)
• InChIKey: WZQIOOSJXKUZJI-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.54
LogP ≤ 5	5.10
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-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?

The IUPAC name of N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (CID 16969723) is N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?

The canonical SMILES for N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is Cc1ccc(C)c(OCCCCn2c(C(C)NC(=O)C3CC3)nc3ccccc32)c1.

What is the InChIKey of N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?

The InChIKey is WZQIOOSJXKUZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-17-10-11-18(2)23(16-17)30-15-7-6-14-28-22-9-5-4-8-21(22)27-24(28)19(3)26-25(29)20-12-13-20/h4-5,8-11,16,19-20H,6-7,12-15H2,1-3H3,(H,26,29).

What are the key properties of N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?

N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 405.54 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16969723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).