1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole

C25H26N4O — CID 5329405

IUPAC1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole
SMILESc1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)nc4)ccc32)cc1
InChIInChI=1S/C25H26N4O/c1-3-7-22(8-4-1)29-19-27-23-17-20(9-11-24(23)29)21-10-12-25(26-18-21)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2
InChIKeyVXZJDAXLBCMRRZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.95
Rot. Bonds6

About 1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole

1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole (PubChem CID 5329405) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole
PubChem CID5329405
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole
SMILESc1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)nc4)ccc32)cc1
InChIInChI=1S/C25H26N4O/c1-3-7-22(8-4-1)29-19-27-23-17-20(9-11-24(23)29)21-10-12-25(26-18-21)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2
InChIKeyVXZJDAXLBCMRRZ-UHFFFAOYSA-N
XLogP4.95
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole?
The IUPAC name of 1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole (CID 5329405) is 1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole.
What is the SMILES notation for 1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole?
The canonical SMILES for 1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole is c1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)nc4)ccc32)cc1.
What is the InChIKey of 1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole?
The InChIKey is VXZJDAXLBCMRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-3-7-22(8-4-1)29-19-27-23-17-20(9-11-24(23)29)21-10-12-25(26-18-21)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2.
What are the key properties of 1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole?
1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole has a molecular weight of 398.51 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazole is sourced from PubChem (CID 5329405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).