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

C32H32N6O6 — CID 66602272

IUPAC[2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
SMILESCOc1ccc2nc(-c3ccc(OCCOCCOCCOc4ccc(-c5nc6ccc(CO)cc6[nH]5)nc4)cn3)[nH]c2c1
InChIInChI=1S/C32H32N6O6/c1-40-22-3-7-26-30(17-22)38-32(36-26)28-9-5-24(19-34-28)44-15-13-42-11-10-41-12-14-43-23-4-8-27(33-18-23)31-35-25-6-2-21(20-39)16-29(25)37-31/h2-9,16-19,39H,10-15,20H2,1H3,(H,35,37)(H,36,38)
InChIKeyTYHALVFSWLNPMF-UHFFFAOYSA-N
MW596.64 g/mol
LogP4.56
Rot. Bonds15

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

[2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol (PubChem CID 66602272) has the molecular formula C32H32N6O6 and a molecular weight of 596.64 g/mol. Its IUPAC name is [2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
PubChem CID66602272
Molecular FormulaC32H32N6O6
Molecular Weight596.64 g/mol
Exact Mass596.24
IUPAC Name[2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
SMILESCOc1ccc2nc(-c3ccc(OCCOCCOCCOc4ccc(-c5nc6ccc(CO)cc6[nH]5)nc4)cn3)[nH]c2c1
InChIInChI=1S/C32H32N6O6/c1-40-22-3-7-26-30(17-22)38-32(36-26)28-9-5-24(19-34-28)44-15-13-42-11-10-41-12-14-43-23-4-8-27(33-18-23)31-35-25-6-2-21(20-39)16-29(25)37-31/h2-9,16-19,39H,10-15,20H2,1H3,(H,35,37)(H,36,38)
InChIKeyTYHALVFSWLNPMF-UHFFFAOYSA-N
XLogP4.56
TPSA149.52 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.64
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
The IUPAC name of [2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol (CID 66602272) is [2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for [2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for [2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol is COc1ccc2nc(-c3ccc(OCCOCCOCCOc4ccc(-c5nc6ccc(CO)cc6[nH]5)nc4)cn3)[nH]c2c1.
What is the InChIKey of [2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
The InChIKey is TYHALVFSWLNPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O6/c1-40-22-3-7-26-30(17-22)38-32(36-26)28-9-5-24(19-34-28)44-15-13-42-11-10-41-12-14-43-23-4-8-27(33-18-23)31-35-25-6-2-21(20-39)16-29(25)37-31/h2-9,16-19,39H,10-15,20H2,1H3,(H,35,37)(H,36,38).
What are the key properties of [2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
[2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol has a molecular weight of 596.64 g/mol, XLogP of 4.56, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 66602272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).