2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine

C15H20ClN3 — CID 79870709

IUPAC2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCC1(C)CCCC1n1c(CCCl)nc2cccnc21
InChIInChI=1S/C15H20ClN3/c1-15(2)8-3-6-12(15)19-13(7-9-16)18-11-5-4-10-17-14(11)19/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyBSTKKDGXSNSSIJ-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.96
Rot. Bonds3

About 2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine (PubChem CID 79870709) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
PubChem CID79870709
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCC1(C)CCCC1n1c(CCCl)nc2cccnc21
InChIInChI=1S/C15H20ClN3/c1-15(2)8-3-6-12(15)19-13(7-9-16)18-11-5-4-10-17-14(11)19/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyBSTKKDGXSNSSIJ-UHFFFAOYSA-N
XLogP3.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.96
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)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79294310
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81135772
2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79871479
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
CID 79870114
4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole
CID 104838457
2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 79294540
2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine
CID 114123296
6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870400
6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 116739217
2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine
CID 114119985
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole
CID 115553702
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine (CID 79870709) is 2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine is CC1(C)CCCC1n1c(CCCl)nc2cccnc21.
What is the InChIKey of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine?
The InChIKey is BSTKKDGXSNSSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-15(2)8-3-6-12(15)19-13(7-9-16)18-11-5-4-10-17-14(11)19/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79870709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).