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

C16H22ClN3 — CID 106005281

IUPAC2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1CCCC1CCCC1
InChIInChI=1S/C16H22ClN3/c17-10-9-15-19-14-8-3-11-18-16(14)20(15)12-4-7-13-5-1-2-6-13/h3,8,11,13H,1-2,4-7,9-10,12H2
InChIKeyVJROLNIOVVVSHI-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.18
Rot. Bonds6

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

2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine (PubChem CID 106005281) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine
PubChem CID106005281
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1CCCC1CCCC1
InChIInChI=1S/C16H22ClN3/c17-10-9-15-19-14-8-3-11-18-16(14)20(15)12-4-7-13-5-1-2-6-13/h3,8,11,13H,1-2,4-7,9-10,12H2
InChIKeyVJROLNIOVVVSHI-UHFFFAOYSA-N
XLogP4.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.18
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-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79294752
2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294596
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
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
2-(2-chloroethyl)-1-(3-cyclopentylpropyl)-6-fluorobenzimidazole
CID 106005321
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294938
2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine
CID 106005326
2-(2-chloroethyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 80686493
6-bromo-2-(2-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79302391
2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79294151

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine (CID 106005281) is 2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine is ClCCc1nc2cccnc2n1CCCC1CCCC1.
What is the InChIKey of 2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is VJROLNIOVVVSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c17-10-9-15-19-14-8-3-11-18-16(14)20(15)12-4-7-13-5-1-2-6-13/h3,8,11,13H,1-2,4-7,9-10,12H2.
What are the key properties of 2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 106005281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).