1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine

C21H19N3O — CID 18678241

IUPAC1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine
SMILESc1ccc(Cc2ccc(OCCn3cnc4ncccc43)cc2)cc1
InChIInChI=1S/C21H19N3O/c1-2-5-17(6-3-1)15-18-8-10-19(11-9-18)25-14-13-24-16-23-21-20(24)7-4-12-22-21/h1-12,16H,13-15H2
InChIKeyHLOMVSNDAIQETB-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.10
Rot. Bonds6

About 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine

1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine (PubChem CID 18678241) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine
PubChem CID18678241
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine
SMILESc1ccc(Cc2ccc(OCCn3cnc4ncccc43)cc2)cc1
InChIInChI=1S/C21H19N3O/c1-2-5-17(6-3-1)15-18-8-10-19(11-9-18)25-14-13-24-16-23-21-20(24)7-4-12-22-21/h1-12,16H,13-15H2
InChIKeyHLOMVSNDAIQETB-UHFFFAOYSA-N
XLogP4.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine (CID 18678241) is 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine is c1ccc(Cc2ccc(OCCn3cnc4ncccc43)cc2)cc1.
What is the InChIKey of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is HLOMVSNDAIQETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-2-5-17(6-3-1)15-18-8-10-19(11-9-18)25-14-13-24-16-23-21-20(24)7-4-12-22-21/h1-12,16H,13-15H2.
What are the key properties of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine?
1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 329.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 18678241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).