3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine

C16H15BrN2O — CID 107087014

IUPAC3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
SMILESCc1cc(C)cc(Oc2nc3ccccn3c2CBr)c1
InChIInChI=1S/C16H15BrN2O/c1-11-7-12(2)9-13(8-11)20-16-14(10-17)19-6-4-3-5-15(19)18-16/h3-9H,10H2,1-2H3
InChIKeyKMMQQVIZLXNJAX-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.64
Rot. Bonds3

About 3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine

3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine (PubChem CID 107087014) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
PubChem CID107087014
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
SMILESCc1cc(C)cc(Oc2nc3ccccn3c2CBr)c1
InChIInChI=1S/C16H15BrN2O/c1-11-7-12(2)9-13(8-11)20-16-14(10-17)19-6-4-3-5-15(19)18-16/h3-9H,10H2,1-2H3
InChIKeyKMMQQVIZLXNJAX-UHFFFAOYSA-N
XLogP4.64
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087710
3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
CID 107284968
2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine
CID 107086400
3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine
CID 107088563
N-methyl-1-[2-(3-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478688
[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478684
[2-(2,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478501
2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 81331656
[2-(3-methoxyphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478666
2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile
CID 107087798
[2-(3-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107169942
[2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 81332235

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine (CID 107087014) is 3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine is Cc1cc(C)cc(Oc2nc3ccccn3c2CBr)c1.
What is the InChIKey of 3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine?
The InChIKey is KMMQQVIZLXNJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-11-7-12(2)9-13(8-11)20-16-14(10-17)19-6-4-3-5-15(19)18-16/h3-9H,10H2,1-2H3.
What are the key properties of 3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine has a molecular weight of 331.21 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107087014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).