1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole

C26H27N3O — CID 5329412

IUPAC1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole
SMILESc1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccc32)cc1
InChIInChI=1S/C26H27N3O/c1-3-7-23(8-4-1)29-20-27-25-19-22(11-14-26(25)29)21-9-12-24(13-10-21)30-18-17-28-15-5-2-6-16-28/h1,3-4,7-14,19-20H,2,5-6,15-18H2
InChIKeyPNGUVNHPACPGIY-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.56
Rot. Bonds6

About 1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole

1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole (PubChem CID 5329412) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole
PubChem CID5329412
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole
SMILESc1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccc32)cc1
InChIInChI=1S/C26H27N3O/c1-3-7-23(8-4-1)29-20-27-25-19-22(11-14-26(25)29)21-9-12-24(13-10-21)30-18-17-28-15-5-2-6-16-28/h1,3-4,7-14,19-20H,2,5-6,15-18H2
InChIKeyPNGUVNHPACPGIY-UHFFFAOYSA-N
XLogP5.56
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole?
The IUPAC name of 1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole (CID 5329412) is 1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole is c1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccc32)cc1.
What is the InChIKey of 1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole?
The InChIKey is PNGUVNHPACPGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-3-7-23(8-4-1)29-20-27-25-19-22(11-14-26(25)29)21-9-12-24(13-10-21)30-18-17-28-15-5-2-6-16-28/h1,3-4,7-14,19-20H,2,5-6,15-18H2.
What are the key properties of 1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole?
1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole has a molecular weight of 397.52 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazole is sourced from PubChem (CID 5329412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).