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

C15H22ClN3 — CID 79292799

IUPAC2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
SMILESCCCCCC(C)n1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C15H22ClN3/c1-4-5-6-7-11(2)19-14-8-9-17-10-13(14)18-15(19)12(3)16/h8-12H,4-7H2,1-3H3
InChIKeyLXOIUGRSAOSTNT-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.87
Rot. Bonds6

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

2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine (PubChem CID 79292799) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
PubChem CID79292799
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
SMILESCCCCCC(C)n1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C15H22ClN3/c1-4-5-6-7-11(2)19-14-8-9-17-10-13(14)18-15(19)12(3)16/h8-12H,4-7H2,1-3H3
InChIKeyLXOIUGRSAOSTNT-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
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'}

Analyze 2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]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-(1-chloroethyl)-1-(4-methylsulfanylbutan-2-yl)imidazo[4,5-c]pyridine
CID 113477873
2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine
CID 79292173
2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
CID 79292511
2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine
CID 104829127
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
2-(1-chloroethyl)-5-fluoro-1-heptan-2-yl-6-methylbenzimidazole
CID 103593499
2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
CID 107817087
2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine
CID 81136319
2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292083
(1R)-1-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanamine
CID 97005120
2-(1-chloroethyl)-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-c]pyridine
CID 79274266
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine (CID 79292799) is 2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine is CCCCCC(C)n1c(C(C)Cl)nc2cnccc21.
What is the InChIKey of 2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is LXOIUGRSAOSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-4-5-6-7-11(2)19-14-8-9-17-10-13(14)18-15(19)12(3)16/h8-12H,4-7H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 279.81 g/mol, XLogP of 4.87, 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-heptan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 79292799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).