[2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol

C29H26N6O3 — CID 66602165

About [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol

[2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol (PubChem CID 66602165) has the molecular formula C29H26N6O3 and a molecular weight of 506.57 g/mol. Its IUPAC name is [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol.

Molecular Properties

• Compound Name: [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
• PubChem CID: 66602165
• Molecular Formula: C29H26N6O3
• Molecular Weight: 506.57 g/mol
• Exact Mass: 506.21
• IUPAC Name: [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
• SMILES: Cc1ccc2nc(-c3ccc(OCCCOc4ccc(-c5nc6ccc(CO)cc6[nH]5)nc4)cn3)[nH]c2c1
• InChI: InChI=1S/C29H26N6O3/c1-18-3-7-22-26(13-18)34-28(32-22)24-9-5-20(15-30-24)37-11-2-12-38-21-6-10-25(31-16-21)29-33-23-8-4-19(17-36)14-27(23)35-29/h3-10,13-16,36H,2,11-12,17H2,1H3,(H,32,34)(H,33,35)
• InChIKey: QFQVXUNLZPTRTJ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 121.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.57
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?

The IUPAC name of [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol (CID 66602165) is [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol.

What is the SMILES notation for [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?

The canonical SMILES for [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol is Cc1ccc2nc(-c3ccc(OCCCOc4ccc(-c5nc6ccc(CO)cc6[nH]5)nc4)cn3)[nH]c2c1.

What is the InChIKey of [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?

The InChIKey is QFQVXUNLZPTRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O3/c1-18-3-7-22-26(13-18)34-28(32-22)24-9-5-20(15-30-24)37-11-2-12-38-21-6-10-25(31-16-21)29-33-23-8-4-19(17-36)14-27(23)35-29/h3-10,13-16,36H,2,11-12,17H2,1H3,(H,32,34)(H,33,35).

What are the key properties of [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?

[2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol has a molecular weight of 506.57 g/mol, XLogP of 5.21, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 66602165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).