6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine

C16H15Cl2N3O — CID 162666139

IUPAC6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(OCCCc2nc3ncc(Cl)cc3[nH]2)cc1Cl
InChIInChI=1S/C16H15Cl2N3O/c1-10-4-5-12(8-13(10)18)22-6-2-3-15-20-14-7-11(17)9-19-16(14)21-15/h4-5,7-9H,2-3,6H2,1H3,(H,19,20,21)
InChIKeyZWMBJQROWFKMGU-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.58
Rot. Bonds5

About 6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine

6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 162666139) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is 6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine
PubChem CID162666139
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(OCCCc2nc3ncc(Cl)cc3[nH]2)cc1Cl
InChIInChI=1S/C16H15Cl2N3O/c1-10-4-5-12(8-13(10)18)22-6-2-3-15-20-14-7-11(17)9-19-16(14)21-15/h4-5,7-9H,2-3,6H2,1H3,(H,19,20,21)
InChIKeyZWMBJQROWFKMGU-UHFFFAOYSA-N
XLogP4.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine (CID 162666139) is 6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine is Cc1ccc(OCCCc2nc3ncc(Cl)cc3[nH]2)cc1Cl.
What is the InChIKey of 6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZWMBJQROWFKMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c1-10-4-5-12(8-13(10)18)22-6-2-3-15-20-14-7-11(17)9-19-16(14)21-15/h4-5,7-9H,2-3,6H2,1H3,(H,19,20,21).
What are the key properties of 6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine?
6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 336.22 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 162666139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).