2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine

C15H20ClN3O — CID 79305999

IUPAC2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2CCOC1CCCC1
InChIInChI=1S/C15H20ClN3O/c1-11-8-13-15(17-10-11)19(14(9-16)18-13)6-7-20-12-4-2-3-5-12/h8,10,12H,2-7,9H2,1H3
InChIKeyNXVNSXDUMICQIQ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.44
Rot. Bonds5

About 2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79305999) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79305999
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2CCOC1CCCC1
InChIInChI=1S/C15H20ClN3O/c1-11-8-13-15(17-10-11)19(14(9-16)18-13)6-7-20-12-4-2-3-5-12/h8,10,12H,2-7,9H2,1H3
InChIKeyNXVNSXDUMICQIQ-UHFFFAOYSA-N
XLogP3.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.44
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-(chloromethyl)-3-(cyclopropylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301845
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
CID 83205092
2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79301434
2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole
CID 63826513
7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
CID 63827569
2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79294752
6-bromo-2-(1-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79279906
2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
CID 79306658
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide
CID 79379611
5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79275981
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea
CID 83114579

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine (CID 79305999) is 2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCl)n2CCOC1CCCC1.
What is the InChIKey of 2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is NXVNSXDUMICQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11-8-13-15(17-10-11)19(14(9-16)18-13)6-7-20-12-4-2-3-5-12/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 293.80 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79305999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).