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

C17H18ClN3 — CID 104591923

IUPAC2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(CC(C)c3ccccc3)c2n1
InChIInChI=1S/C17H18ClN3/c1-12(14-6-4-3-5-7-14)11-21-16(10-18)20-15-9-8-13(2)19-17(15)21/h3-9,12H,10-11H2,1-2H3
InChIKeyNLNMKXYCQUKNCW-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.28
Rot. Bonds4

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

2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine (PubChem CID 104591923) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine
PubChem CID104591923
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(CC(C)c3ccccc3)c2n1
InChIInChI=1S/C17H18ClN3/c1-12(14-6-4-3-5-7-14)11-21-16(10-18)20-15-9-8-13(2)19-17(15)21/h3-9,12H,10-11H2,1-2H3
InChIKeyNLNMKXYCQUKNCW-UHFFFAOYSA-N
XLogP4.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.28
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)-5-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 81135418
2-(chloromethyl)-6-fluoro-1-(2-phenylpropyl)benzimidazole
CID 104591930
2-(chloromethyl)-5-methyl-3-pentylimidazo[4,5-b]pyridine
CID 81136215
2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine
CID 81135625
2-(chloromethyl)-1-(3-phenylbutyl)benzimidazole
CID 63547545
2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine
CID 81135677
3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
CID 81136219
1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 81135613
3-[1-(3-bromophenyl)ethyl]-2-(chloromethyl)-5-methylimidazo[4,5-b]pyridine
CID 81139142
2-(chloromethyl)-5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 81139474
2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 81135382
2-(chloromethyl)-3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridine
CID 114248539

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine (CID 104591923) is 2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine is Cc1ccc2nc(CCl)n(CC(C)c3ccccc3)c2n1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is NLNMKXYCQUKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-12(14-6-4-3-5-7-14)11-21-16(10-18)20-15-9-8-13(2)19-17(15)21/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 299.81 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-3-(2-phenylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 104591923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).