2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine

C15H22ClN3 — CID 81136319

IUPAC2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine
SMILESCCCCC(C)n1c(C(C)Cl)nc2ccc(C)nc21
InChIInChI=1S/C15H22ClN3/c1-5-6-7-11(3)19-14(12(4)16)18-13-9-8-10(2)17-15(13)19/h8-9,11-12H,5-7H2,1-4H3
InChIKeyNACASYTUHBPUAM-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.79
Rot. Bonds5

About 2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine (PubChem CID 81136319) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine
PubChem CID81136319
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine
SMILESCCCCC(C)n1c(C(C)Cl)nc2ccc(C)nc21
InChIInChI=1S/C15H22ClN3/c1-5-6-7-11(3)19-14(12(4)16)18-13-9-8-10(2)17-15(13)19/h8-9,11-12H,5-7H2,1-4H3
InChIKeyNACASYTUHBPUAM-UHFFFAOYSA-N
XLogP4.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.79
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-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 81135382
2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
CID 79292799
2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 81135457
2-(1-chloroethyl)-5-methyl-3-(1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 81141255
2-(1-chloroethyl)-5-fluoro-1-heptan-2-yl-6-methylbenzimidazole
CID 103593499
3-tert-butyl-2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridine
CID 81135595
methyl 2-[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-3-methylbutanoate
CID 81140169
2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
CID 115322969
2-(1-chloroethyl)-5-methyl-3-(5,5,5-trifluoropentyl)imidazo[4,5-b]pyridine
CID 115521108
2-(1-chloroethyl)-5-methyl-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 81135454
6-bromo-2-(1-chloroethyl)-1-pentan-2-ylbenzimidazole
CID 65345209
3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylbutan-1-amine
CID 81136098

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine (CID 81136319) is 2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine is CCCCC(C)n1c(C(C)Cl)nc2ccc(C)nc21.
What is the InChIKey of 2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine?
The InChIKey is NACASYTUHBPUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-5-6-7-11(3)19-14(12(4)16)18-13-9-8-10(2)17-15(13)19/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine has a molecular weight of 279.81 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81136319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).