2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine

C16H15Cl2N3 — CID 79275730

IUPAC2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2N3/c1-10-6-7-19-16-15(10)20-14(9-17)21(16)11(2)12-4-3-5-13(18)8-12/h3-8,11H,9H2,1-2H3
InChIKeyILGJJBYYHBDKRI-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.74
Rot. Bonds3

About 2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine (PubChem CID 79275730) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine
PubChem CID79275730
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2N3/c1-10-6-7-19-16-15(10)20-14(9-17)21(16)11(2)12-4-3-5-13(18)8-12/h3-8,11H,9H2,1-2H3
InChIKeyILGJJBYYHBDKRI-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.74
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-(2-chloroethyl)-7-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79276019
2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293061
3-butan-2-yl-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293279
2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79293076
2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293736
3-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylbutan-1-amine
CID 79293078
2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79293879
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
CID 79293878
2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79277190
2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274686
3-[1-(3-bromophenyl)ethyl]-2-(chloromethyl)-5-methylimidazo[4,5-b]pyridine
CID 81139142
2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293210

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine (CID 79275730) is 2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2C(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine?
The InChIKey is ILGJJBYYHBDKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10-6-7-19-16-15(10)20-14(9-17)21(16)11(2)12-4-3-5-13(18)8-12/h3-8,11H,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine has a molecular weight of 320.22 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79275730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).