N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine

C32H28N6 — CID 10838999

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine (PubChem CID 10838999) has the molecular formula C32H28N6 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine.

Molecular Properties

• Compound Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine
• PubChem CID: 10838999
• Molecular Formula: C32H28N6
• Molecular Weight: 496.62 g/mol
• Exact Mass: 496.24
• IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine
• SMILES: C(=N\CCc1nc2ccccc2[nH]1)\c1ccccc1-c1ccccc1/C=N/CCc1nc2ccccc2[nH]1
• InChI: InChI=1S/C32H28N6/c1-3-11-25(23(9-1)21-33-19-17-31-35-27-13-5-6-14-28(27)36-31)26-12-4-2-10-24(26)22-34-20-18-32-37-29-15-7-8-16-30(29)38-32/h1-16,21-22H,17-20H2,(H,35,36)(H,37,38)/b33-21-,34-22+
• InChIKey: ALMIZFBGWUKPPT-NRYMNODQSA-N
• XLogP: 6.43
• TPSA: 82.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.62
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine?

The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine (CID 10838999) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine.

What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine?

The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine is C(=N\CCc1nc2ccccc2[nH]1)\c1ccccc1-c1ccccc1/C=N/CCc1nc2ccccc2[nH]1.

What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine?

The InChIKey is ALMIZFBGWUKPPT-NRYMNODQSA-N. The full InChI is InChI=1S/C32H28N6/c1-3-11-25(23(9-1)21-33-19-17-31-35-27-13-5-6-14-28(27)36-31)26-12-4-2-10-24(26)22-34-20-18-32-37-29-15-7-8-16-30(29)38-32/h1-16,21-22H,17-20H2,(H,35,36)(H,37,38)/b33-21-,34-22+.

What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine?

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine has a molecular weight of 496.62 g/mol, XLogP of 6.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine is sourced from PubChem (CID 10838999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).