N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide

C25H21N5O4 — CID 172653609

About N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide

N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide (PubChem CID 172653609) has the molecular formula C25H21N5O4 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
• PubChem CID: 172653609
• Molecular Formula: C25H21N5O4
• Molecular Weight: 455.47 g/mol
• Exact Mass: 455.16
• IUPAC Name: N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
• SMILES: COc1ccc(-c2nc3ccccc3n2CC(=O)/N=N/c2c(O)[nH]c3ccc(OC)cc23)cc1
• InChI: InChI=1S/C25H21N5O4/c1-33-16-9-7-15(8-10-16)24-26-20-5-3-4-6-21(20)30(24)14-22(31)28-29-23-18-13-17(34-2)11-12-19(18)27-25(23)32/h3-13,27,32H,14H2,1-2H3/b29-28+
• InChIKey: GSBGSXCPAYHCJT-ZQHSETAFSA-N
• XLogP: 5.22
• TPSA: 114.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.47
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?

The IUPAC name of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide (CID 172653609) is N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide.

What is the SMILES notation for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?

The canonical SMILES for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide is COc1ccc(-c2nc3ccccc3n2CC(=O)/N=N/c2c(O)[nH]c3ccc(OC)cc23)cc1.

What is the InChIKey of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?

The InChIKey is GSBGSXCPAYHCJT-ZQHSETAFSA-N. The full InChI is InChI=1S/C25H21N5O4/c1-33-16-9-7-15(8-10-16)24-26-20-5-3-4-6-21(20)30(24)14-22(31)28-29-23-18-13-17(34-2)11-12-19(18)27-25(23)32/h3-13,27,32H,14H2,1-2H3/b29-28+.

What are the key properties of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?

N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 455.47 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 172653609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).