2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine

C16H17N3O — CID 82337401

IUPAC2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCCc1ccc(OCc2nc3nccc(C)c3[nH]2)cc1
InChIInChI=1S/C16H17N3O/c1-3-12-4-6-13(7-5-12)20-10-14-18-15-11(2)8-9-17-16(15)19-14/h4-9H,3,10H2,1-2H3,(H,17,18,19)
InChIKeyCZFGHXCSRWXSFS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.41
Rot. Bonds4

About 2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine

2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 82337401) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID82337401
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCCc1ccc(OCc2nc3nccc(C)c3[nH]2)cc1
InChIInChI=1S/C16H17N3O/c1-3-12-4-6-13(7-5-12)20-10-14-18-15-11(2)8-9-17-16(15)19-14/h4-9H,3,10H2,1-2H3,(H,17,18,19)
InChIKeyCZFGHXCSRWXSFS-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 63725024
4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline
CID 55230387
7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine
CID 63722820
N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
CID 63724851
3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 55228667
2-methoxy-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine
CID 63772690
2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 82144371
2-(5-ethoxy-2-pyridinyl)-7-methyl-1H-imidazo[4,5-b]pyridine
CID 167817103
2-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]propan-2-amine
CID 55230388
N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 55230581
2-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 80741042
1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one
CID 79872278

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine (CID 82337401) is 2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine is CCc1ccc(OCc2nc3nccc(C)c3[nH]2)cc1.
What is the InChIKey of 2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is CZFGHXCSRWXSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-12-4-6-13(7-5-12)20-10-14-18-15-11(2)8-9-17-16(15)19-14/h4-9H,3,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 267.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 82337401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).