3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine

C16H14BrClN2O — CID 107087710

IUPAC3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
SMILESCc1cc(Oc2nc3ccccn3c2CBr)cc(C)c1Cl
InChIInChI=1S/C16H14BrClN2O/c1-10-7-12(8-11(2)15(10)18)21-16-13(9-17)20-6-4-3-5-14(20)19-16/h3-8H,9H2,1-2H3
InChIKeyLJDYHCZPKHTAPL-UHFFFAOYSA-N
MW365.66 g/mol
LogP5.29
Rot. Bonds3

About 3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine

3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine (PubChem CID 107087710) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
PubChem CID107087710
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
SMILESCc1cc(Oc2nc3ccccn3c2CBr)cc(C)c1Cl
InChIInChI=1S/C16H14BrClN2O/c1-10-7-12(8-11(2)15(10)18)21-16-13(9-17)20-6-4-3-5-14(20)19-16/h3-8H,9H2,1-2H3
InChIKeyLJDYHCZPKHTAPL-UHFFFAOYSA-N
XLogP5.29
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.66
LogP ≤ 55.29
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-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087014
3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine
CID 107088563
3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
CID 107284968
[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478684
2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine
CID 107086400
2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 63566085
2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 81331656
[2-(3-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107169942
[2-(2,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478501
[2-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478692
[2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107285108
[2-(2,5-dichlorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478483

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine (CID 107087710) is 3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine is Cc1cc(Oc2nc3ccccn3c2CBr)cc(C)c1Cl.
What is the InChIKey of 3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine?
The InChIKey is LJDYHCZPKHTAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-10-7-12(8-11(2)15(10)18)21-16-13(9-17)20-6-4-3-5-14(20)19-16/h3-8H,9H2,1-2H3.
What are the key properties of 3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine has a molecular weight of 365.66 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107087710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).