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

C25H27N3O2S — CID 16973776

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

N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 16973776) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 16973776
• Molecular Formula: C25H27N3O2S
• Molecular Weight: 433.58 g/mol
• Exact Mass: 433.18
• IUPAC Name: N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(C(C)C)c(OCCn2c(CNC(=O)c3cccs3)nc3ccccc32)c1
• InChI: InChI=1S/C25H27N3O2S/c1-17(2)19-11-10-18(3)15-22(19)30-13-12-28-21-8-5-4-7-20(21)27-24(28)16-26-25(29)23-9-6-14-31-23/h4-11,14-15,17H,12-13,16H2,1-3H3,(H,26,29)
• InChIKey: IPBBNFODJCHUJS-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 56.15 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	433.58
LogP ≤ 5	5.54
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]thiophene-2-carboxamide?

The IUPAC name of N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (CID 16973776) is N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is Cc1ccc(C(C)C)c(OCCn2c(CNC(=O)c3cccs3)nc3ccccc32)c1.

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

The InChIKey is IPBBNFODJCHUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-17(2)19-11-10-18(3)15-22(19)30-13-12-28-21-8-5-4-7-20(21)27-24(28)16-26-25(29)23-9-6-14-31-23/h4-11,14-15,17H,12-13,16H2,1-3H3,(H,26,29).

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

N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 5.54, 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]thiophene-2-carboxamide is sourced from PubChem (CID 16973776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).