6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine

C18H20ClN3O — CID 122190755

IUPAC6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine
SMILESCCc1nc2cc(Cl)cnc2n1CCCCOc1ccccc1
InChIInChI=1S/C18H20ClN3O/c1-2-17-21-16-12-14(19)13-20-18(16)22(17)10-6-7-11-23-15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3
InChIKeyAGOWYJBSKSWCDA-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.51
Rot. Bonds7

About 6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine

6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine (PubChem CID 122190755) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine
PubChem CID122190755
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine
SMILESCCc1nc2cc(Cl)cnc2n1CCCCOc1ccccc1
InChIInChI=1S/C18H20ClN3O/c1-2-17-21-16-12-14(19)13-20-18(16)22(17)10-6-7-11-23-15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3
InChIKeyAGOWYJBSKSWCDA-UHFFFAOYSA-N
XLogP4.51
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine (CID 122190755) is 6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine is CCc1nc2cc(Cl)cnc2n1CCCCOc1ccccc1.
What is the InChIKey of 6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine?
The InChIKey is AGOWYJBSKSWCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-2-17-21-16-12-14(19)13-20-18(16)22(17)10-6-7-11-23-15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3.
What are the key properties of 6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine?
6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine has a molecular weight of 329.83 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122190755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).