2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine

C15H20ClN3 — CID 79306658

IUPAC2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2CC1(C)CCCC1
InChIInChI=1S/C15H20ClN3/c1-11-7-12-14(17-9-11)19(13(8-16)18-12)10-15(2)5-3-4-6-15/h7,9H,3-6,8,10H2,1-2H3
InChIKeyWHUCEAQWZZPDST-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.06
Rot. Bonds3

About 2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 79306658) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
PubChem CID79306658
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2CC1(C)CCCC1
InChIInChI=1S/C15H20ClN3/c1-11-7-12-14(17-9-11)19(13(8-16)18-12)10-15(2)5-3-4-6-15/h7,9H,3-6,8,10H2,1-2H3
InChIKeyWHUCEAQWZZPDST-UHFFFAOYSA-N
XLogP4.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.06
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-(chloromethyl)-3-(cyclopropylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301845
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113485709
2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methylbenzimidazole
CID 107164708
2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
CID 114109023
2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine
CID 79305999
6-bromo-2-(chloromethyl)-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine
CID 114101198
2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine
CID 113484391
4-[[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 79301013
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
CID 66087529
2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79301434
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79301361

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine (CID 79306658) is 2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCl)n2CC1(C)CCCC1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is WHUCEAQWZZPDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11-7-12-14(17-9-11)19(13(8-16)18-12)10-15(2)5-3-4-6-15/h7,9H,3-6,8,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79306658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).