N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C30H28N6O4 — CID 94859705

About N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 94859705) has the molecular formula C30H28N6O4 and a molecular weight of 536.59 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• PubChem CID: 94859705
• Molecular Formula: C30H28N6O4
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.22
• IUPAC Name: N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• SMILES: COc1ccc2[nH]cc(CCN3C(=O)[C@@H](CC(=O)Nc4ccc(NC(C)=O)cc4)n4c3nc3ccccc34)c2c1
• InChI: InChI=1S/C30H28N6O4/c1-18(37)32-20-7-9-21(10-8-20)33-28(38)16-27-29(39)35(30-34-25-5-3-4-6-26(25)36(27)30)14-13-19-17-31-24-12-11-22(40-2)15-23(19)24/h3-12,15,17,27,31H,13-14,16H2,1-2H3,(H,32,37)(H,33,38)/t27-/m1/s1
• InChIKey: KBEWFBJOHHNBAL-HHHXNRCGSA-N
• XLogP: 4.64
• TPSA: 121.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The IUPAC name of N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 94859705) is N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

What is the SMILES notation for N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The canonical SMILES for N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is COc1ccc2[nH]cc(CCN3C(=O)[C@@H](CC(=O)Nc4ccc(NC(C)=O)cc4)n4c3nc3ccccc34)c2c1.

What is the InChIKey of N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The InChIKey is KBEWFBJOHHNBAL-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H28N6O4/c1-18(37)32-20-7-9-21(10-8-20)33-28(38)16-27-29(39)35(30-34-25-5-3-4-6-26(25)36(27)30)14-13-19-17-31-24-12-11-22(40-2)15-23(19)24/h3-12,15,17,27,31H,13-14,16H2,1-2H3,(H,32,37)(H,33,38)/t27-/m1/s1.

What are the key properties of N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 536.59 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 94859705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).