2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide

C25H26N4O3 — CID 50789480

About 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide

2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 50789480) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 50789480
• Molecular Formula: C25H26N4O3
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.20
• IUPAC Name: 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide
• SMILES: CC(=O)Nc1ccc(CCc2nc3ccc(C(=O)NC(C)Cc4ccco4)cc3[nH]2)cc1
• InChI: InChI=1S/C25H26N4O3/c1-16(14-21-4-3-13-32-21)26-25(31)19-8-11-22-23(15-19)29-24(28-22)12-7-18-5-9-20(10-6-18)27-17(2)30/h3-6,8-11,13,15-16H,7,12,14H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)
• InChIKey: YNLGERVNWAHYNI-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 100.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide (CID 50789480) is 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide is CC(=O)Nc1ccc(CCc2nc3ccc(C(=O)NC(C)Cc4ccco4)cc3[nH]2)cc1.

What is the InChIKey of 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide?

The InChIKey is YNLGERVNWAHYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16(14-21-4-3-13-32-21)26-25(31)19-8-11-22-23(15-19)29-24(28-22)12-7-18-5-9-20(10-6-18)27-17(2)30/h3-6,8-11,13,15-16H,7,12,14H2,1-2H3,(H,26,31)(H,27,30)(H,28,29).

What are the key properties of 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide?

2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 50789480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).