2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine

C13H12ClN3S — CID 79294299

IUPAC2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1CCc1ccsc1
InChIInChI=1S/C13H12ClN3S/c14-8-12-16-11-2-1-5-15-13(11)17(12)6-3-10-4-7-18-9-10/h1-2,4-5,7,9H,3,6,8H2
InChIKeyQNOZUJYRZMKZDK-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.47
Rot. Bonds4

About 2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 79294299) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
PubChem CID79294299
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1CCc1ccsc1
InChIInChI=1S/C13H12ClN3S/c14-8-12-16-11-2-1-5-15-13(11)17(12)6-3-10-4-7-18-9-10/h1-2,4-5,7,9H,3,6,8H2
InChIKeyQNOZUJYRZMKZDK-UHFFFAOYSA-N
XLogP3.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.47
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)-1-(2-thiophen-3-ylethyl)benzimidazole
CID 61477875
2-(chloromethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79294366
6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 79301975
2-(chloromethyl)-5-methoxy-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 115322838
2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79294519
2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 103008727
3-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 114186561
N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79294605
2-(2-chloroethyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 80686493
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
3-pyridin-2-yl-4-(2-thiophen-3-ylethyl)-1H-1,2,4-triazole-5-thione
CID 61474668

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine (CID 79294299) is 2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine is ClCc1nc2cccnc2n1CCc1ccsc1.
What is the InChIKey of 2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is QNOZUJYRZMKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c14-8-12-16-11-2-1-5-15-13(11)17(12)6-3-10-4-7-18-9-10/h1-2,4-5,7,9H,3,6,8H2.
What are the key properties of 2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine has a molecular weight of 277.78 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).