N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C27H26N4O2 — CID 43832460

About N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 43832460) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• PubChem CID: 43832460
• Molecular Formula: C27H26N4O2
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.21
• IUPAC Name: N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• SMILES: CCc1ccccc1NC(=O)CC1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21
• InChI: InChI=1S/C27H26N4O2/c1-3-20-8-4-5-9-21(20)28-25(32)16-24-26(33)30(17-19-14-12-18(2)13-15-19)27-29-22-10-6-7-11-23(22)31(24)27/h4-15,24H,3,16-17H2,1-2H3,(H,28,32)
• InChIKey: YLHSKGQWJLPHHJ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The IUPAC name of N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 43832460) is N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

What is the SMILES notation for N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The canonical SMILES for N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is CCc1ccccc1NC(=O)CC1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21.

What is the InChIKey of N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The InChIKey is YLHSKGQWJLPHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-3-20-8-4-5-9-21(20)28-25(32)16-24-26(33)30(17-19-14-12-18(2)13-15-19)27-29-22-10-6-7-11-23(22)31(24)27/h4-15,24H,3,16-17H2,1-2H3,(H,28,32).

What are the key properties of N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 438.53 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 43832460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).