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

C13H12ClN3S — CID 79292646

IUPAC2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine
SMILESClCCc1nc2cnccc2n1Cc1cccs1
InChIInChI=1S/C13H12ClN3S/c14-5-3-13-16-11-8-15-6-4-12(11)17(13)9-10-2-1-7-18-10/h1-2,4,6-8H,3,5,9H2
InChIKeyKQPYLTFQTNHUAS-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.32
Rot. Bonds4

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

2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine (PubChem CID 79292646) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine
PubChem CID79292646
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine
SMILESClCCc1nc2cnccc2n1Cc1cccs1
InChIInChI=1S/C13H12ClN3S/c14-5-3-13-16-11-8-15-6-4-12(11)17(13)9-10-2-1-7-18-10/h1-2,4,6-8H,3,5,9H2
InChIKeyKQPYLTFQTNHUAS-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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

1-[(5-bromothiophen-2-yl)methyl]-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292128
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79291836
2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine
CID 79292021
2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292245
3-[[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]benzonitrile
CID 79273521
2-(2-chloroethyl)-5-methoxy-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115322705
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
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917
2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
CID 79291828

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine (CID 79292646) is 2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine is ClCCc1nc2cnccc2n1Cc1cccs1.
What is the InChIKey of 2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine?
The InChIKey is KQPYLTFQTNHUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c14-5-3-13-16-11-8-15-6-4-12(11)17(13)9-10-2-1-7-18-10/h1-2,4,6-8H,3,5,9H2.
What are the key properties of 2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine has a molecular weight of 277.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).