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

C15H12Br2N2O — CID 107284968

IUPAC3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
SMILESCc1ccc(Br)cc1Oc1nc2ccccn2c1CBr
InChIInChI=1S/C15H12Br2N2O/c1-10-5-6-11(17)8-13(10)20-15-12(9-16)19-7-3-2-4-14(19)18-15/h2-8H,9H2,1H3
InChIKeyJFKKOTIJCIJPAY-UHFFFAOYSA-N
MW396.08 g/mol
LogP5.09
Rot. Bonds3

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

3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine (PubChem CID 107284968) has the molecular formula C15H12Br2N2O and a molecular weight of 396.08 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
PubChem CID107284968
Molecular FormulaC15H12Br2N2O
Molecular Weight396.08 g/mol
Exact Mass393.93
IUPAC Name3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
SMILESCc1ccc(Br)cc1Oc1nc2ccccn2c1CBr
InChIInChI=1S/C15H12Br2N2O/c1-10-5-6-11(17)8-13(10)20-15-12(9-16)19-7-3-2-4-14(19)18-15/h2-8H,9H2,1H3
InChIKeyJFKKOTIJCIJPAY-UHFFFAOYSA-N
XLogP5.09
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.08
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107285108
2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 63566085
3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087014
3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087710
2-(5-bromo-2-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 114674035
[2-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478692
2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 107100284
[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478684
2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile
CID 107087798
[2-(2,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478501
N-[[2-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 43478690
2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine
CID 107086400

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine (CID 107284968) is 3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine is Cc1ccc(Br)cc1Oc1nc2ccccn2c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine?
The InChIKey is JFKKOTIJCIJPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O/c1-10-5-6-11(17)8-13(10)20-15-12(9-16)19-7-3-2-4-14(19)18-15/h2-8H,9H2,1H3.
What are the key properties of 3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine has a molecular weight of 396.08 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107284968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).