2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole

C29H24N4O2 — CID 24900492

About 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole

2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole (PubChem CID 24900492) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
• PubChem CID: 24900492
• Molecular Formula: C29H24N4O2
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.19
• IUPAC Name: 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
• SMILES: c1ccc2[nH]c(-c3ccc(OCCCOc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1
• InChI: InChI=1S/C29H24N4O2/c1-2-7-25-24(6-1)30-28(31-25)20-10-14-22(15-11-20)34-18-5-19-35-23-16-12-21(13-17-23)29-32-26-8-3-4-9-27(26)33-29/h1-4,6-17H,5,18-19H2,(H,30,31)(H,32,33)
• InChIKey: RQTVUXRXQFNLPE-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 75.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole?

The IUPAC name of 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole (CID 24900492) is 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole.

What is the SMILES notation for 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole?

The canonical SMILES for 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole is c1ccc2[nH]c(-c3ccc(OCCCOc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1.

What is the InChIKey of 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole?

The InChIKey is RQTVUXRXQFNLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c1-2-7-25-24(6-1)30-28(31-25)20-10-14-22(15-11-20)34-18-5-19-35-23-16-12-21(13-17-23)29-32-26-8-3-4-9-27(26)33-29/h1-4,6-17H,5,18-19H2,(H,30,31)(H,32,33).

What are the key properties of 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole?

2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole has a molecular weight of 460.54 g/mol, XLogP of 6.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 24900492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).