4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine

C14H12BrN3O — CID 103385294

IUPAC4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine
SMILESCc1ccc(Oc2nccc3c2ncn3C)c(Br)c1
InChIInChI=1S/C14H12BrN3O/c1-9-3-4-12(10(15)7-9)19-14-13-11(5-6-16-14)18(2)8-17-13/h3-8H,1-2H3
InChIKeyLPAWEJZJXBXPEU-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.83
Rot. Bonds2

About 4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine

4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine (PubChem CID 103385294) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine
PubChem CID103385294
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine
SMILESCc1ccc(Oc2nccc3c2ncn3C)c(Br)c1
InChIInChI=1S/C14H12BrN3O/c1-9-3-4-12(10(15)7-9)19-14-13-11(5-6-16-14)18(2)8-17-13/h3-8H,1-2H3
InChIKeyLPAWEJZJXBXPEU-UHFFFAOYSA-N
XLogP3.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
CID 103385875
2-(2-bromo-4-methylphenoxy)-1-methylimidazole
CID 62132553
4-bromo-1,6-dimethylbenzimidazole
CID 68775248
3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile
CID 82812987
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
[4-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyphenyl]methanamine
CID 103386242
(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056639
2-(2-bromo-4-methylphenoxy)-3-nitropyridine-4-carbonitrile
CID 80718101
2-(2-bromo-4-methylphenoxy)pyrazine
CID 28602476
[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
CID 55125081
6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631978

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine (CID 103385294) is 4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine is Cc1ccc(Oc2nccc3c2ncn3C)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine?
The InChIKey is LPAWEJZJXBXPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-9-3-4-12(10(15)7-9)19-14-13-11(5-6-16-14)18(2)8-17-13/h3-8H,1-2H3.
What are the key properties of 4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine?
4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine has a molecular weight of 318.17 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 103385294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).