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

C15H22ClN3 — CID 115326628

IUPAC2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
SMILESCC(C)CCCCn1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C15H22ClN3/c1-11(2)6-4-5-9-19-14-7-8-17-10-13(14)18-15(19)12(3)16/h7-8,10-12H,4-6,9H2,1-3H3
InChIKeyWHRIXEPIGBFBPL-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.56
Rot. Bonds6

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

2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine (PubChem CID 115326628) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
PubChem CID115326628
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
SMILESCC(C)CCCCn1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C15H22ClN3/c1-11(2)6-4-5-9-19-14-7-8-17-10-13(14)18-15(19)12(3)16/h7-8,10-12H,4-6,9H2,1-3H3
InChIKeyWHRIXEPIGBFBPL-UHFFFAOYSA-N
XLogP4.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.56
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-(7-methyloctyl)imidazo[4,5-c]pyridine
CID 107817087
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-(5-methylhexyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine (CID 115326628) is 2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine is CC(C)CCCCn1c(C(C)Cl)nc2cnccc21.
What is the InChIKey of 2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine?
The InChIKey is WHRIXEPIGBFBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-11(2)6-4-5-9-19-14-7-8-17-10-13(14)18-15(19)12(3)16/h7-8,10-12H,4-6,9H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine has a molecular weight of 279.81 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 115326628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).