3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile

C26H25N5O — CID 22117172

IUPAC3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile
SMILESN#Cc1cccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)nc4)ccc32)c1
InChIInChI=1S/C26H25N5O/c27-17-20-5-4-6-23(15-20)31-19-29-24-16-21(7-9-25(24)31)22-8-10-26(28-18-22)32-14-13-30-11-2-1-3-12-30/h4-10,15-16,18-19H,1-3,11-14H2
InChIKeyOPJDXLYTALJXBO-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.82
Rot. Bonds6

About 3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile

3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile (PubChem CID 22117172) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile
PubChem CID22117172
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile
SMILESN#Cc1cccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)nc4)ccc32)c1
InChIInChI=1S/C26H25N5O/c27-17-20-5-4-6-23(15-20)31-19-29-24-16-21(7-9-25(24)31)22-8-10-26(28-18-22)32-14-13-30-11-2-1-3-12-30/h4-10,15-16,18-19H,1-3,11-14H2
InChIKeyOPJDXLYTALJXBO-UHFFFAOYSA-N
XLogP4.82
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile?
The IUPAC name of 3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile (CID 22117172) is 3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile.
What is the SMILES notation for 3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile?
The canonical SMILES for 3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile is N#Cc1cccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)nc4)ccc32)c1.
What is the InChIKey of 3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile?
The InChIKey is OPJDXLYTALJXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c27-17-20-5-4-6-23(15-20)31-19-29-24-16-21(7-9-25(24)31)22-8-10-26(28-18-22)32-14-13-30-11-2-1-3-12-30/h4-10,15-16,18-19H,1-3,11-14H2.
What are the key properties of 3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile?
3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile has a molecular weight of 423.52 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile is sourced from PubChem (CID 22117172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).