2-phenyl-1-piperidin-4-ylbenzimidazole

C18H19N3 — CID 21222159

IUPAC2-phenyl-1-piperidin-4-ylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2C2CCNCC2)cc1
InChIInChI=1S/C18H19N3/c1-2-6-14(7-3-1)18-20-16-8-4-5-9-17(16)21(18)15-10-12-19-13-11-15/h1-9,15,19H,10-13H2
InChIKeyYRJQIVPIIRMQFR-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.63
Rot. Bonds2

About 2-phenyl-1-piperidin-4-ylbenzimidazole

2-phenyl-1-piperidin-4-ylbenzimidazole (PubChem CID 21222159) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-phenyl-1-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name2-phenyl-1-piperidin-4-ylbenzimidazole
PubChem CID21222159
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-phenyl-1-piperidin-4-ylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2C2CCNCC2)cc1
InChIInChI=1S/C18H19N3/c1-2-6-14(7-3-1)18-20-16-8-4-5-9-17(16)21(18)15-10-12-19-13-11-15/h1-9,15,19H,10-13H2
InChIKeyYRJQIVPIIRMQFR-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-piperidin-4-ylbenzimidazole?
The IUPAC name of 2-phenyl-1-piperidin-4-ylbenzimidazole (CID 21222159) is 2-phenyl-1-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 2-phenyl-1-piperidin-4-ylbenzimidazole?
The canonical SMILES for 2-phenyl-1-piperidin-4-ylbenzimidazole is c1ccc(-c2nc3ccccc3n2C2CCNCC2)cc1.
What is the InChIKey of 2-phenyl-1-piperidin-4-ylbenzimidazole?
The InChIKey is YRJQIVPIIRMQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-6-14(7-3-1)18-20-16-8-4-5-9-17(16)21(18)15-10-12-19-13-11-15/h1-9,15,19H,10-13H2.
What are the key properties of 2-phenyl-1-piperidin-4-ylbenzimidazole?
2-phenyl-1-piperidin-4-ylbenzimidazole has a molecular weight of 277.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 21222159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).