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

C16H22ClN3 — CID 107414374

IUPAC2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(CC3CCC(C)C3)c2n1
InChIInChI=1S/C16H22ClN3/c1-11-3-5-13(9-11)10-20-15(7-8-17)19-14-6-4-12(2)18-16(14)20/h4,6,11,13H,3,5,7-10H2,1-2H3
InChIKeyUWDMQVODQDXQIT-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.96
Rot. Bonds4

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

2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 107414374) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
PubChem CID107414374
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(CC3CCC(C)C3)c2n1
InChIInChI=1S/C16H22ClN3/c1-11-3-5-13(9-11)10-20-15(7-8-17)19-14-6-4-12(2)18-16(14)20/h4,6,11,13H,3,5,7-10H2,1-2H3
InChIKeyUWDMQVODQDXQIT-UHFFFAOYSA-N
XLogP3.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
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)-5-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 107297282
2-(2-chloroethyl)-3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridine
CID 81135885
2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548525
4-chloro-2-(2-chloroethyl)-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414431
2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole
CID 115553467
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
2-(2-chloroethyl)-3-[(1-ethylcyclopropyl)methyl]-5-methylimidazo[4,5-b]pyridine
CID 114101222
2-(chloromethyl)-5-methyl-3-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136393
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
CID 81135670
2-(chloromethyl)-5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 81139474
2-(2-chloroethyl)-5-methyl-3-(2-methylsulfonylethyl)imidazo[4,5-b]pyridine
CID 81135399
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine (CID 107414374) is 2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine is Cc1ccc2nc(CCCl)n(CC3CCC(C)C3)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is UWDMQVODQDXQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-11-3-5-13(9-11)10-20-15(7-8-17)19-14-6-4-12(2)18-16(14)20/h4,6,11,13H,3,5,7-10H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 291.83 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 107414374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).