3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine

C16H14BrClN2O — CID 22091469

IUPAC3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(Br)cc1Cc1c(CCl)nc2ccccn12
InChIInChI=1S/C16H14BrClN2O/c1-21-15-6-5-12(17)8-11(15)9-14-13(10-18)19-16-4-2-3-7-20(14)16/h2-8H,9-10H2,1H3
InChIKeyCGLFRNWGUCLWCA-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.43
Rot. Bonds4

About 3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine

3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine (PubChem CID 22091469) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine
PubChem CID22091469
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(Br)cc1Cc1c(CCl)nc2ccccn12
InChIInChI=1S/C16H14BrClN2O/c1-21-15-6-5-12(17)8-11(15)9-14-13(10-18)19-16-4-2-3-7-20(14)16/h2-8H,9-10H2,1H3
InChIKeyCGLFRNWGUCLWCA-UHFFFAOYSA-N
XLogP4.43
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.43
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

2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 63566085
2-(5-bromo-2-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 114674035
N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane
CID 142176506
2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 107100284
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118569
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
CID 107284968
[2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107285108
5-bromo-2-(chloromethyl)-6-methoxyimidazo[1,2-a]pyridine
CID 134818940
1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014810
3-(3-bromophenyl)-2-(2-methoxyphenyl)imidazo[1,2-a]pyridine
CID 71699468
2-[(5-bromo-2-methoxyphenyl)methyl]isoquinolin-1-one
CID 78915730

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine (CID 22091469) is 3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine is COc1ccc(Br)cc1Cc1c(CCl)nc2ccccn12.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine?
The InChIKey is CGLFRNWGUCLWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-21-15-6-5-12(17)8-11(15)9-14-13(10-18)19-16-4-2-3-7-20(14)16/h2-8H,9-10H2,1H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine?
3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine has a molecular weight of 365.66 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 22091469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).