N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide

C25H27N3O3 — CID 16619791

About N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide

N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 16619791) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
• PubChem CID: 16619791
• Molecular Formula: C25H27N3O3
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.21
• IUPAC Name: N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
• SMILES: Cc1ccc(C(C)C)c(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1
• InChI: InChI=1S/C25H27N3O3/c1-17(2)19-11-10-18(3)15-23(19)31-14-12-28-21-8-5-4-7-20(21)27-24(28)16-26-25(29)22-9-6-13-30-22/h4-11,13,15,17H,12,14,16H2,1-3H3,(H,26,29)
• InChIKey: JSOSVNATEHNFAR-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?

The IUPAC name of N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 16619791) is N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?

The canonical SMILES for N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is Cc1ccc(C(C)C)c(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1.

What is the InChIKey of N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?

The InChIKey is JSOSVNATEHNFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17(2)19-11-10-18(3)15-23(19)31-14-12-28-21-8-5-4-7-20(21)27-24(28)16-26-25(29)22-9-6-13-30-22/h4-11,13,15,17H,12,14,16H2,1-3H3,(H,26,29).

What are the key properties of N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?

N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16619791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).