2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine

C14H14ClN3S — CID 79292245

IUPAC2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine
SMILESClCCc1nc2cnccc2n1CCc1ccsc1
InChIInChI=1S/C14H14ClN3S/c15-5-1-14-17-12-9-16-6-2-13(12)18(14)7-3-11-4-8-19-10-11/h2,4,6,8-10H,1,3,5,7H2
InChIKeyWZPKXXOMTIQGPR-UHFFFAOYSA-N
MW291.81 g/mol
LogP3.52
Rot. Bonds5

About 2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine

2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine (PubChem CID 79292245) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine
PubChem CID79292245
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine
SMILESClCCc1nc2cnccc2n1CCc1ccsc1
InChIInChI=1S/C14H14ClN3S/c15-5-1-14-17-12-9-16-6-2-13(12)18(14)7-3-11-4-8-19-10-11/h2,4,6,8-10H,1,3,5,7H2
InChIKeyWZPKXXOMTIQGPR-UHFFFAOYSA-N
XLogP3.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 53.52
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-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole
CID 63246452
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
CID 79291828
2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine
CID 79292646
2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326595
5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 60902566
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
CID 79273930
2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
CID 83143728
2-(2-chloroethyl)-1-(thiolan-2-ylmethyl)imidazo[4,5-c]pyridine
CID 80585713

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine (CID 79292245) is 2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine is ClCCc1nc2cnccc2n1CCc1ccsc1.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine?
The InChIKey is WZPKXXOMTIQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c15-5-1-14-17-12-9-16-6-2-13(12)18(14)7-3-11-4-8-19-10-11/h2,4,6,8-10H,1,3,5,7H2.
What are the key properties of 2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine has a molecular weight of 291.81 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).