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

C14H14ClN3O — CID 81136454

IUPAC2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(C(C)c3ccco3)c2n1
InChIInChI=1S/C14H14ClN3O/c1-9-5-6-11-14(16-9)18(13(8-15)17-11)10(2)12-4-3-7-19-12/h3-7,10H,8H2,1-2H3
InChIKeyHUEJPYOIARFWTG-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.68
Rot. Bonds3

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

2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine (PubChem CID 81136454) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine
PubChem CID81136454
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(C(C)c3ccco3)c2n1
InChIInChI=1S/C14H14ClN3O/c1-9-5-6-11-14(16-9)18(13(8-15)17-11)10(2)12-4-3-7-19-12/h3-7,10H,8H2,1-2H3
InChIKeyHUEJPYOIARFWTG-UHFFFAOYSA-N
XLogP3.68
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole
CID 43661155
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 43659782
3-[1-(3-bromophenyl)ethyl]-2-(chloromethyl)-5-methylimidazo[4,5-b]pyridine
CID 81139142
2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 81135382
2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136366
3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylbutan-1-amine
CID 81136098
6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79302460
2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 62376171
2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine
CID 104829146
2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine
CID 104591923
5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66109631

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine (CID 81136454) is 2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine is Cc1ccc2nc(CCl)n(C(C)c3ccco3)c2n1.
What is the InChIKey of 2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine?
The InChIKey is HUEJPYOIARFWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-5-6-11-14(16-9)18(13(8-15)17-11)10(2)12-4-3-7-19-12/h3-7,10H,8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine has a molecular weight of 275.74 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81136454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).