6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine

C16H17N3O2 — CID 72927700

IUPAC6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCOCCOc1ccc(-c2cnc3nc(C)[nH]c3c2)cc1
InChIInChI=1S/C16H17N3O2/c1-11-18-15-9-13(10-17-16(15)19-11)12-3-5-14(6-4-12)21-8-7-20-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyWSMRJRRDDBZARW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.96
Rot. Bonds5

About 6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine

6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 72927700) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID72927700
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCOCCOc1ccc(-c2cnc3nc(C)[nH]c3c2)cc1
InChIInChI=1S/C16H17N3O2/c1-11-18-15-9-13(10-17-16(15)19-11)12-3-5-14(6-4-12)21-8-7-20-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyWSMRJRRDDBZARW-UHFFFAOYSA-N
XLogP2.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
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-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine (CID 72927700) is 6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine is COCCOc1ccc(-c2cnc3nc(C)[nH]c3c2)cc1.
What is the InChIKey of 6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is WSMRJRRDDBZARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-18-15-9-13(10-17-16(15)19-11)12-3-5-14(6-4-12)21-8-7-20-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 283.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 72927700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).