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

C15H22ClN3 — CID 115326595

IUPAC2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
SMILESCC(C)CCCCn1c(CCCl)nc2cnccc21
InChIInChI=1S/C15H22ClN3/c1-12(2)5-3-4-10-19-14-7-9-17-11-13(14)18-15(19)6-8-16/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyULTOKODXFZAHCY-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.04
Rot. Bonds7

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

2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine (PubChem CID 115326595) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
PubChem CID115326595
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
SMILESCC(C)CCCCn1c(CCCl)nc2cnccc21
InChIInChI=1S/C15H22ClN3/c1-12(2)5-3-4-10-19-14-7-9-17-11-13(14)18-15(19)6-8-16/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyULTOKODXFZAHCY-UHFFFAOYSA-N
XLogP4.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.04
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)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
CID 79291828
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
CID 107817087
2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
CID 83143728
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]imidazo[4,5-c]pyridine
CID 79292464
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine
CID 79292173
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 79291879
2-(2-chloroethyl)-4-fluoro-1-(5-methylhexyl)benzimidazole
CID 115326562

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine (CID 115326595) is 2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine is CC(C)CCCCn1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine?
The InChIKey is ULTOKODXFZAHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-12(2)5-3-4-10-19-14-7-9-17-11-13(14)18-15(19)6-8-16/h7,9,11-12H,3-6,8,10H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine has a molecular weight of 279.81 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 115326595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).