N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

C22H14Br2N6O2 — CID 1399782

About N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 1399782) has the molecular formula C22H14Br2N6O2 and a molecular weight of 554.20 g/mol. Its IUPAC name is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
• PubChem CID: 1399782
• Molecular Formula: C22H14Br2N6O2
• Molecular Weight: 554.20 g/mol
• Exact Mass: 551.95
• IUPAC Name: N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
• SMILES: O=C(Cn1c(-c2ccccn2)nc2ccccc21)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
• InChI: InChI=1S/C22H14Br2N6O2/c23-12-9-13-19(14(24)10-12)27-22(32)20(13)29-28-18(31)11-30-17-7-2-1-5-15(17)26-21(30)16-6-3-4-8-25-16/h1-10,27,32H,11H2/b29-28+
• InChIKey: RZBBBJIJLKNKIB-ZQHSETAFSA-N
• XLogP: 6.12
• TPSA: 108.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.20
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?

The IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (CID 1399782) is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.

What is the SMILES notation for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?

The canonical SMILES for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccccn2)nc2ccccc21)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12.

What is the InChIKey of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?

The InChIKey is RZBBBJIJLKNKIB-ZQHSETAFSA-N. The full InChI is InChI=1S/C22H14Br2N6O2/c23-12-9-13-19(14(24)10-12)27-22(32)20(13)29-28-18(31)11-30-17-7-2-1-5-15(17)26-21(30)16-6-3-4-8-25-16/h1-10,27,32H,11H2/b29-28+.

What are the key properties of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?

N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 554.20 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 1399782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).