2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine

C15H22ClN3 — CID 104829146

IUPAC2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(C(C)C(C)(C)C)c2n1
InChIInChI=1S/C15H22ClN3/c1-10-6-7-12-14(17-10)19(11(2)15(3,4)5)13(18-12)8-9-16/h6-7,11H,8-9H2,1-5H3
InChIKeyQHWMITWNJWDBAR-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.13
Rot. Bonds3

About 2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine (PubChem CID 104829146) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine
PubChem CID104829146
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(C(C)C(C)(C)C)c2n1
InChIInChI=1S/C15H22ClN3/c1-10-6-7-12-14(17-10)19(11(2)15(3,4)5)13(18-12)8-9-16/h6-7,11H,8-9H2,1-5H3
InChIKeyQHWMITWNJWDBAR-UHFFFAOYSA-N
XLogP4.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.13
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)-5-methyl-3-(1-methylsulfonylpropan-2-yl)imidazo[4,5-b]pyridine
CID 81135494
2-(2-chloroethyl)-3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridine
CID 81135885
2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazole
CID 113457934
2-(2-chloroethyl)-5-methyl-3-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 81139327
2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81135769
2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylbenzimidazole
CID 103593961
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
2-(2-chloroethyl)-5-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
CID 106216975
3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylbutan-1-amine
CID 81136098
4-chloro-2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104838671
2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 81141074

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine (CID 104829146) is 2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine is Cc1ccc2nc(CCCl)n(C(C)C(C)(C)C)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine?
The InChIKey is QHWMITWNJWDBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-10-6-7-12-14(17-10)19(11(2)15(3,4)5)13(18-12)8-9-16/h6-7,11H,8-9H2,1-5H3.
What are the key properties of 2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine has a molecular weight of 279.81 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 104829146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).