2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine

C15H12BrClN2O — CID 63566085

IUPAC2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(Br)ccc1Oc1nc2ccccn2c1CCl
InChIInChI=1S/C15H12BrClN2O/c1-10-8-11(16)5-6-13(10)20-15-12(9-17)19-7-3-2-4-14(19)18-15/h2-8H,9H2,1H3
InChIKeyQTRPFMVPCYTWJZ-UHFFFAOYSA-N
MW351.63 g/mol
LogP4.94
Rot. Bonds3

About 2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine

2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine (PubChem CID 63566085) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
PubChem CID63566085
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(Br)ccc1Oc1nc2ccccn2c1CCl
InChIInChI=1S/C15H12BrClN2O/c1-10-8-11(16)5-6-13(10)20-15-12(9-17)19-7-3-2-4-14(19)18-15/h2-8H,9H2,1H3
InChIKeyQTRPFMVPCYTWJZ-UHFFFAOYSA-N
XLogP4.94
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine (CID 63566085) is 2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine is Cc1cc(Br)ccc1Oc1nc2ccccn2c1CCl.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
The InChIKey is QTRPFMVPCYTWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c1-10-8-11(16)5-6-13(10)20-15-12(9-17)19-7-3-2-4-14(19)18-15/h2-8H,9H2,1H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine has a molecular weight of 351.63 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 63566085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).