2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine

C16H24ClN3 — CID 79292173

IUPAC2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine
SMILESCCCCCCC(C)n1c(CCCl)nc2cnccc21
InChIInChI=1S/C16H24ClN3/c1-3-4-5-6-7-13(2)20-15-9-11-18-12-14(15)19-16(20)8-10-17/h9,11-13H,3-8,10H2,1-2H3
InChIKeyCXUNJJYLHIFRCG-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.74
Rot. Bonds8

About 2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine

2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine (PubChem CID 79292173) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine
PubChem CID79292173
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine
SMILESCCCCCCC(C)n1c(CCCl)nc2cnccc21
InChIInChI=1S/C16H24ClN3/c1-3-4-5-6-7-13(2)20-15-9-11-18-12-14(15)19-16(20)8-10-17/h9,11-13H,3-8,10H2,1-2H3
InChIKeyCXUNJJYLHIFRCG-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-5-fluoro-1-octan-2-ylbenzimidazole
CID 63546138
2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
CID 79292799
2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine
CID 79273060
2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326595
2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole
CID 79292688
2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine
CID 79292021
2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
CID 79292578
2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine
CID 130597330
2-(2-chloroethyl)-1-hexan-2-yl-7-methylbenzimidazole
CID 115553382
2-(2-chloroethyl)-5-iodo-1-(6-methylheptan-2-yl)benzimidazole
CID 66082234
2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine
CID 106330443
2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
CID 83143728

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine (CID 79292173) is 2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine is CCCCCCC(C)n1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is CXUNJJYLHIFRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-3-4-5-6-7-13(2)20-15-9-11-18-12-14(15)19-16(20)8-10-17/h9,11-13H,3-8,10H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 293.84 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)-1-octan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 79292173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).