5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid

C23H17N7O6 — CID 135615215

About 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid

5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid (PubChem CID 135615215) has the molecular formula C23H17N7O6 and a molecular weight of 487.43 g/mol. Its IUPAC name is 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid.

Molecular Properties

• Compound Name: 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid
• PubChem CID: 135615215
• Molecular Formula: C23H17N7O6
• Molecular Weight: 487.43 g/mol
• Exact Mass: 487.12
• IUPAC Name: 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid
• SMILES: Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1
• InChI: InChI=1S/C23H17N7O6/c24-21-20(28-36-29-21)22-26-15-3-1-2-4-16(15)30(22)11-19(32)27-25-10-13-6-8-18(35-13)12-5-7-17(31)14(9-12)23(33)34/h1-10,31H,11H2,(H2,24,29)(H,27,32)(H,33,34)/b25-10+
• InChIKey: FGOFJOMVKBRMFA-KIBLKLHPSA-N
• XLogP: 2.48
• TPSA: 194.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.43
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid?

The IUPAC name of 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid (CID 135615215) is 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid.

What is the SMILES notation for 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid?

The canonical SMILES for 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid is Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1.

What is the InChIKey of 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid?

The InChIKey is FGOFJOMVKBRMFA-KIBLKLHPSA-N. The full InChI is InChI=1S/C23H17N7O6/c24-21-20(28-36-29-21)22-26-15-3-1-2-4-16(15)30(22)11-19(32)27-25-10-13-6-8-18(35-13)12-5-7-17(31)14(9-12)23(33)34/h1-10,31H,11H2,(H2,24,29)(H,27,32)(H,33,34)/b25-10+.

What are the key properties of 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid?

5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid has a molecular weight of 487.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 135615215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).