N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine

C26H24N10 — CID 142056712

About N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine

N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine (PubChem CID 142056712) has the molecular formula C26H24N10 and a molecular weight of 476.55 g/mol. Its IUPAC name is N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine.

Molecular Properties

• Compound Name: N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine
• PubChem CID: 142056712
• Molecular Formula: C26H24N10
• Molecular Weight: 476.55 g/mol
• Exact Mass: 476.22
• IUPAC Name: N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine
• SMILES: [H]/N=C/C=N\NCc1cccc(Nc2ncnc(-n3c(NCc4ccccc4)nc4ccccc43)n2)c1
• InChI: InChI=1S/C26H24N10/c27-13-14-31-32-17-20-9-6-10-21(15-20)33-24-29-18-30-26(35-24)36-23-12-5-4-11-22(23)34-25(36)28-16-19-7-2-1-3-8-19/h1-15,18,27,32H,16-17H2,(H,28,34)(H,29,30,33,35)/b27-13+,31-14-
• InChIKey: YEUPXEYLIYWCEI-UNQKOMHWSA-N
• XLogP: 4.29
• TPSA: 128.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.55
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

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 N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine?

The IUPAC name of N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine (CID 142056712) is N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine.

What is the SMILES notation for N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine?

The canonical SMILES for N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine is [H]/N=C/C=N\NCc1cccc(Nc2ncnc(-n3c(NCc4ccccc4)nc4ccccc43)n2)c1.

What is the InChIKey of N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine?

The InChIKey is YEUPXEYLIYWCEI-UNQKOMHWSA-N. The full InChI is InChI=1S/C26H24N10/c27-13-14-31-32-17-20-9-6-10-21(15-20)33-24-29-18-30-26(35-24)36-23-12-5-4-11-22(23)34-25(36)28-16-19-7-2-1-3-8-19/h1-15,18,27,32H,16-17H2,(H,28,34)(H,29,30,33,35)/b27-13+,31-14-.

What are the key properties of N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine?

N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine has a molecular weight of 476.55 g/mol, XLogP of 4.29, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine is sourced from PubChem (CID 142056712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).