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

C17H24ClN3 — CID 79279480

IUPAC2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCCCC1CCC(n2c(CCl)nc3cc(C)cnc32)CC1
InChIInChI=1S/C17H24ClN3/c1-3-4-13-5-7-14(8-6-13)21-16(10-18)20-15-9-12(2)11-19-17(15)21/h9,11,13-14H,3-8,10H2,1-2H3
InChIKeyRATQOTASIHLNKP-UHFFFAOYSA-N
MW305.85 g/mol
LogP5.01
Rot. Bonds4

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

2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine (PubChem CID 79279480) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine
PubChem CID79279480
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCCCC1CCC(n2c(CCl)nc3cc(C)cnc32)CC1
InChIInChI=1S/C17H24ClN3/c1-3-4-13-5-7-14(8-6-13)21-16(10-18)20-15-9-12(2)11-19-17(15)21/h9,11,13-14H,3-8,10H2,1-2H3
InChIKeyRATQOTASIHLNKP-UHFFFAOYSA-N
XLogP5.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.85
LogP ≤ 55.01
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)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79301434
6-bromo-2-(chloromethyl)-3-(4-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79301958
2-(chloromethyl)-3-(cyclopropylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301845
3-(4-ethylcyclohexyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301760
2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine
CID 79278559
6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79301852
6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79278792
2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294728
2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine
CID 81136095
3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79278182
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
5-(chloromethyl)-1,3-dimethyl-6-(4-propylcyclohexyl)imidazo[4,5-d]pyrazole
CID 79275803

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine (CID 79279480) is 2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine is CCCC1CCC(n2c(CCl)nc3cc(C)cnc32)CC1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine?
The InChIKey is RATQOTASIHLNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-3-4-13-5-7-14(8-6-13)21-16(10-18)20-15-9-12(2)11-19-17(15)21/h9,11,13-14H,3-8,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine has a molecular weight of 305.85 g/mol, XLogP of 5.01, 4 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-(4-propylcyclohexyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79279480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).