2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine

C15H14ClN3 — CID 79289366

IUPAC2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
SMILESCC(c1ccccc1)n1c(CCl)nc2cccnc21
InChIInChI=1S/C15H14ClN3/c1-11(12-6-3-2-4-7-12)19-14(10-16)18-13-8-5-9-17-15(13)19/h2-9,11H,10H2,1H3
InChIKeyZLBJNTNFWYFNJN-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.78
Rot. Bonds3

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

2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine (PubChem CID 79289366) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
PubChem CID79289366
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
SMILESCC(c1ccccc1)n1c(CCl)nc2cccnc21
InChIInChI=1S/C15H14ClN3/c1-11(12-6-3-2-4-7-12)19-14(10-16)18-13-8-5-9-17-15(13)19/h2-9,11H,10H2,1H3
InChIKeyZLBJNTNFWYFNJN-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.78
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-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294950
2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79273400
2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79273103
4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine
CID 79294803
2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79294519
2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole
CID 43660125
2-(2-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294520
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
CID 79273265
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(chloromethyl)-7-methyl-1-(1-pyridin-4-ylethyl)benzimidazole
CID 115553000
2-(2-chloroethyl)-7-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79276019

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine (CID 79289366) is 2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine is CC(c1ccccc1)n1c(CCl)nc2cccnc21.
What is the InChIKey of 2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZLBJNTNFWYFNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-11(12-6-3-2-4-7-12)19-14(10-16)18-13-8-5-9-17-15(13)19/h2-9,11H,10H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine has a molecular weight of 271.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79289366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).