2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole

C29H25FN6O3 — CID 66602005

IUPAC2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(F)cc6[nH]5)nc4)cn3)[nH]c2c1
InChIInChI=1S/C29H25FN6O3/c1-18-2-6-22-26(14-18)35-28(33-22)24-8-4-20(16-31-24)38-12-10-37-11-13-39-21-5-9-25(32-17-21)29-34-23-7-3-19(30)15-27(23)36-29/h2-9,14-17H,10-13H2,1H3,(H,33,35)(H,34,36)
InChIKeyALHAUBCNYPHISU-UHFFFAOYSA-N
MW524.56 g/mol
LogP5.49
Rot. Bonds10

About 2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole

2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole (PubChem CID 66602005) has the molecular formula C29H25FN6O3 and a molecular weight of 524.56 g/mol. Its IUPAC name is 2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole
PubChem CID66602005
Molecular FormulaC29H25FN6O3
Molecular Weight524.56 g/mol
Exact Mass524.20
IUPAC Name2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(F)cc6[nH]5)nc4)cn3)[nH]c2c1
InChIInChI=1S/C29H25FN6O3/c1-18-2-6-22-26(14-18)35-28(33-22)24-8-4-20(16-31-24)38-12-10-37-11-13-39-21-5-9-25(32-17-21)29-34-23-7-3-19(30)15-27(23)36-29/h2-9,14-17H,10-13H2,1H3,(H,33,35)(H,34,36)
InChIKeyALHAUBCNYPHISU-UHFFFAOYSA-N
XLogP5.49
TPSA110.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.56
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole (CID 66602005) is 2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(F)cc6[nH]5)nc4)cn3)[nH]c2c1.
What is the InChIKey of 2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole?
The InChIKey is ALHAUBCNYPHISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O3/c1-18-2-6-22-26(14-18)35-28(33-22)24-8-4-20(16-31-24)38-12-10-37-11-13-39-21-5-9-25(32-17-21)29-34-23-7-3-19(30)15-27(23)36-29/h2-9,14-17H,10-13H2,1H3,(H,33,35)(H,34,36).
What are the key properties of 2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole?
2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole has a molecular weight of 524.56 g/mol, XLogP of 5.49, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 66602005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).