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

C15H20ClN3O — CID 79294752

IUPAC2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1CCOC1CCCC1
InChIInChI=1S/C15H20ClN3O/c16-8-7-14-18-13-6-3-9-17-15(13)19(14)10-11-20-12-4-1-2-5-12/h3,6,9,12H,1-2,4-5,7-8,10-11H2
InChIKeyJIMKKYKSTOQTAZ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.17
Rot. Bonds6

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

2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine (PubChem CID 79294752) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
PubChem CID79294752
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1CCOC1CCCC1
InChIInChI=1S/C15H20ClN3O/c16-8-7-14-18-13-6-3-9-17-15(13)19(14)10-11-20-12-4-1-2-5-12/h3,6,9,12H,1-2,4-5,7-8,10-11H2
InChIKeyJIMKKYKSTOQTAZ-UHFFFAOYSA-N
XLogP3.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine
CID 106005281
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294596
2-(2-chloroethyl)-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79294900
2-(2-chloroethyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106431903
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294938
2-(2-chloroethyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 80686493
2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine
CID 79305999
7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
CID 63827569
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
N-cyclopentyl-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 126456884

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine (CID 79294752) is 2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine is ClCCc1nc2cccnc2n1CCOC1CCCC1.
What is the InChIKey of 2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine?
The InChIKey is JIMKKYKSTOQTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-8-7-14-18-13-6-3-9-17-15(13)19(14)10-11-20-12-4-1-2-5-12/h3,6,9,12H,1-2,4-5,7-8,10-11H2.
What are the key properties of 2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine has a molecular weight of 293.80 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).