2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine

C15H20ClN3 — CID 79294151

IUPAC2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1CCC1CCCC1
InChIInChI=1S/C15H20ClN3/c1-11(16)14-18-13-7-4-9-17-15(13)19(14)10-8-12-5-2-3-6-12/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3
InChIKeyRYALOBJKQBPNLR-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.31
Rot. Bonds4

About 2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine (PubChem CID 79294151) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
PubChem CID79294151
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1CCC1CCCC1
InChIInChI=1S/C15H20ClN3/c1-11(16)14-18-13-7-4-9-17-15(13)19(14)10-8-12-5-2-3-6-12/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3
InChIKeyRYALOBJKQBPNLR-UHFFFAOYSA-N
XLogP4.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.31
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-(1-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294964
2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine
CID 79294318
2-(1-chloroethyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 79295118
2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79289928
2-(1-chloroethyl)-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294750
2-(1-chloroethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274501
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79295037
2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294446
5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
CID 63545211
2-(1-chloroethyl)-1-(2-cyclohexylethyl)-5-methylbenzimidazole
CID 63545213
5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 63544857
2-(1-chloroethyl)-3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridine
CID 79274516

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine (CID 79294151) is 2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine is CC(Cl)c1nc2cccnc2n1CCC1CCCC1.
What is the InChIKey of 2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine?
The InChIKey is RYALOBJKQBPNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11(16)14-18-13-7-4-9-17-15(13)19(14)10-8-12-5-2-3-6-12/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3.
What are the key properties of 2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).