2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine

C17H26ClN3 — CID 107817140

IUPAC2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine
SMILESCCCCC(CC)Cn1c(CCCl)nc2c(C)ccnc21
InChIInChI=1S/C17H26ClN3/c1-4-6-7-14(5-2)12-21-15(8-10-18)20-16-13(3)9-11-19-17(16)21/h9,11,14H,4-8,10,12H2,1-3H3
InChIKeyGZIDUUQIBPKKKE-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.74
Rot. Bonds8

About 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 107817140) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID107817140
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine
SMILESCCCCC(CC)Cn1c(CCCl)nc2c(C)ccnc21
InChIInChI=1S/C17H26ClN3/c1-4-6-7-14(5-2)12-21-15(8-10-18)20-16-13(3)9-11-19-17(16)21/h9,11,14H,4-8,10,12H2,1-3H3
InChIKeyGZIDUUQIBPKKKE-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79293597
3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 107816967
2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine
CID 79293815
4-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817172
N-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004808
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
2-(2-chloroethyl)-7-methyl-3-[(2-methylpyrimidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277501
2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine
CID 114004330
2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylethanamine
CID 79294107
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817166

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine (CID 107817140) is 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine is CCCCC(CC)Cn1c(CCCl)nc2c(C)ccnc21.
What is the InChIKey of 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is GZIDUUQIBPKKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-4-6-7-14(5-2)12-21-15(8-10-18)20-16-13(3)9-11-19-17(16)21/h9,11,14H,4-8,10,12H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 307.87 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 107817140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).