1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine

C16H20ClN3 — CID 79273203

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
SMILESClCCc1nc2cnccc2n1CC1CC2CCC1C2
InChIInChI=1S/C16H20ClN3/c17-5-3-16-19-14-9-18-6-4-15(14)20(16)10-13-8-11-1-2-12(13)7-11/h4,6,9,11-13H,1-3,5,7-8,10H2
InChIKeyBAJBVTHTADISQZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.65
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine

1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine (PubChem CID 79273203) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
PubChem CID79273203
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
SMILESClCCc1nc2cnccc2n1CC1CC2CCC1C2
InChIInChI=1S/C16H20ClN3/c17-5-3-16-19-14-9-18-6-4-15(14)20(16)10-13-8-11-1-2-12(13)7-11/h4,6,9,11-13H,1-3,5,7-8,10H2
InChIKeyBAJBVTHTADISQZ-UHFFFAOYSA-N
XLogP3.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
CID 79292880
2-(2-chloroethyl)-1-(thiolan-2-ylmethyl)imidazo[4,5-c]pyridine
CID 80585713
2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine
CID 107419703
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79273532
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole
CID 116622454
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
CID 79292911
6-(2-bicyclo[2.2.1]heptanylmethyl)-5-(2-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79275816
2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
CID 83143728
2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole
CID 113463978
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917
2-(2-chloroethyl)-1-(3,4-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79292202

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine (CID 79273203) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine is ClCCc1nc2cnccc2n1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
The InChIKey is BAJBVTHTADISQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-5-3-16-19-14-9-18-6-4-15(14)20(16)10-13-8-11-1-2-12(13)7-11/h4,6,9,11-13H,1-3,5,7-8,10H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine has a molecular weight of 289.81 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79273203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).