2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine

C17H26ClN3 — CID 107817087

IUPAC2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
SMILESCC(C)CCCCCCn1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C17H26ClN3/c1-13(2)8-6-4-5-7-11-21-16-9-10-19-12-15(16)20-17(21)14(3)18/h9-10,12-14H,4-8,11H2,1-3H3
InChIKeyZAAGRJGGPVPUDG-UHFFFAOYSA-N
MW307.87 g/mol
LogP5.34
Rot. Bonds8

About 2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine

2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine (PubChem CID 107817087) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
PubChem CID107817087
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
SMILESCC(C)CCCCCCn1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C17H26ClN3/c1-13(2)8-6-4-5-7-11-21-16-9-10-19-12-15(16)20-17(21)14(3)18/h9-10,12-14H,4-8,11H2,1-3H3
InChIKeyZAAGRJGGPVPUDG-UHFFFAOYSA-N
XLogP5.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.87
LogP ≤ 55.34
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-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216
2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326595
N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine
CID 79292538
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide
CID 79292930
6-bromo-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 115326631
2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine
CID 79274938
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,2,2-trimethylpropanamide
CID 106278840
2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
CID 79292799
2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292472
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide
CID 79292094
2-(1-chloroethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazo[4,5-c]pyridine
CID 106036565

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine (CID 107817087) is 2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine is CC(C)CCCCCCn1c(C(C)Cl)nc2cnccc21.
What is the InChIKey of 2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine?
The InChIKey is ZAAGRJGGPVPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-13(2)8-6-4-5-7-11-21-16-9-10-19-12-15(16)20-17(21)14(3)18/h9-10,12-14H,4-8,11H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine has a molecular weight of 307.87 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 107817087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).