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

C16H17N3O — CID 79795712

IUPAC6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1cccc(OCCc2nc3ncc(C)cc3[nH]2)c1
InChIInChI=1S/C16H17N3O/c1-11-4-3-5-13(8-11)20-7-6-15-18-14-9-12(2)10-17-16(14)19-15/h3-5,8-10H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyOTJXHYRVMSEMJG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds4

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

6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 79795712) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID79795712
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1cccc(OCCc2nc3ncc(C)cc3[nH]2)c1
InChIInChI=1S/C16H17N3O/c1-11-4-3-5-13(8-11)20-7-6-15-18-14-9-12(2)10-17-16(14)19-15/h3-5,8-10H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyOTJXHYRVMSEMJG-UHFFFAOYSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 82940636
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817012
4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 115911909
2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
CID 83241772
N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 79795868
2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795297
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-[(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopropanamine
CID 79795782
2-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795368
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine (CID 79795712) is 6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine is Cc1cccc(OCCc2nc3ncc(C)cc3[nH]2)c1.
What is the InChIKey of 6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is OTJXHYRVMSEMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-4-3-5-13(8-11)20-7-6-15-18-14-9-12(2)10-17-16(14)19-15/h3-5,8-10H,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of 6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine?
6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 267.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79795712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).