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

C36H40N6O8 — CID 66602309

IUPAC[2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
SMILESCOc1ccc2nc(-c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5nc6ccc(CO)cc6[nH]5)nc4)cn3)[nH]c2c1
InChIInChI=1S/C36H40N6O8/c1-44-26-3-7-30-34(21-26)42-36(40-30)32-9-5-28(23-38-32)50-19-17-48-15-13-46-11-10-45-12-14-47-16-18-49-27-4-8-31(37-22-27)35-39-29-6-2-25(24-43)20-33(29)41-35/h2-9,20-23,43H,10-19,24H2,1H3,(H,39,41)(H,40,42)
InChIKeyQNMXXEGVFRFVJW-UHFFFAOYSA-N
MW684.75 g/mol
LogP4.59
Rot. Bonds21

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

[2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol (PubChem CID 66602309) has the molecular formula C36H40N6O8 and a molecular weight of 684.75 g/mol. Its IUPAC name is [2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
PubChem CID66602309
Molecular FormulaC36H40N6O8
Molecular Weight684.75 g/mol
Exact Mass684.29
IUPAC Name[2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
SMILESCOc1ccc2nc(-c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5nc6ccc(CO)cc6[nH]5)nc4)cn3)[nH]c2c1
InChIInChI=1S/C36H40N6O8/c1-44-26-3-7-30-34(21-26)42-36(40-30)32-9-5-28(23-38-32)50-19-17-48-15-13-46-11-10-45-12-14-47-16-18-49-27-4-8-31(37-22-27)35-39-29-6-2-25(24-43)20-33(29)41-35/h2-9,20-23,43H,10-19,24H2,1H3,(H,39,41)(H,40,42)
InChIKeyQNMXXEGVFRFVJW-UHFFFAOYSA-N
XLogP4.59
TPSA167.98 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.75
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
The IUPAC name of [2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol (CID 66602309) is [2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for [2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for [2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol is COc1ccc2nc(-c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5nc6ccc(CO)cc6[nH]5)nc4)cn3)[nH]c2c1.
What is the InChIKey of [2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
The InChIKey is QNMXXEGVFRFVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N6O8/c1-44-26-3-7-30-34(21-26)42-36(40-30)32-9-5-28(23-38-32)50-19-17-48-15-13-46-11-10-45-12-14-47-16-18-49-27-4-8-31(37-22-27)35-39-29-6-2-25(24-43)20-33(29)41-35/h2-9,20-23,43H,10-19,24H2,1H3,(H,39,41)(H,40,42).
What are the key properties of [2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
[2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol has a molecular weight of 684.75 g/mol, XLogP of 4.59, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[2-[2-[2-[2-[2-[[6-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 66602309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).