1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine

C14H17ClN4 — CID 79291935

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine
SMILESClCc1nc2cnccc2n1C1CN2CCC1CC2
InChIInChI=1S/C14H17ClN4/c15-7-14-17-11-8-16-4-1-12(11)19(14)13-9-18-5-2-10(13)3-6-18/h1,4,8,10,13H,2-3,5-7,9H2
InChIKeyCLZDHMQNTOLWSZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.44
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine

1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine (PubChem CID 79291935) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine
PubChem CID79291935
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine
SMILESClCc1nc2cnccc2n1C1CN2CCC1CC2
InChIInChI=1S/C14H17ClN4/c15-7-14-17-11-8-16-4-1-12(11)19(14)13-9-18-5-2-10(13)3-6-18/h1,4,8,10,13H,2-3,5-7,9H2
InChIKeyCLZDHMQNTOLWSZ-UHFFFAOYSA-N
XLogP2.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[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

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine (CID 79291935) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine is ClCc1nc2cnccc2n1C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine?
The InChIKey is CLZDHMQNTOLWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-7-14-17-11-8-16-4-1-12(11)19(14)13-9-18-5-2-10(13)3-6-18/h1,4,8,10,13H,2-3,5-7,9H2.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine?
1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine has a molecular weight of 276.77 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79291935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).