7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine

C14H13ClN2S — CID 82064405

IUPAC7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
SMILESCCc1c(-c2cccs2)nc2cc(CCl)ccn12
InChIInChI=1S/C14H13ClN2S/c1-2-11-14(12-4-3-7-18-12)16-13-8-10(9-15)5-6-17(11)13/h3-8H,2,9H2,1H3
InChIKeyZNWGKVDZSFSJJE-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.36
Rot. Bonds3

About 7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine

7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine (PubChem CID 82064405) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
PubChem CID82064405
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Name7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
SMILESCCc1c(-c2cccs2)nc2cc(CCl)ccn12
InChIInChI=1S/C14H13ClN2S/c1-2-11-14(12-4-3-7-18-12)16-13-8-10(9-15)5-6-17(11)13/h3-8H,2,9H2,1H3
InChIKeyZNWGKVDZSFSJJE-UHFFFAOYSA-N
XLogP4.36
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.36
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

3-benzyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 56933914
7-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82356194
7-(chloromethyl)-3-methyl-2-phenylimidazo[1,2-a]pyridine
CID 82064406
1-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029571
(2-thiophen-2-ylimidazo[1,2-a]pyridin-7-yl)methanamine
CID 79021026
2-(6-chloro-8-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82531181
3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 82356609
2-[4-(chloromethyl)phenyl]thiophene
CID 21186166
N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 167754279
N-benzyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808655
(5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 93206666
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine (CID 82064405) is 7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine is CCc1c(-c2cccs2)nc2cc(CCl)ccn12.
What is the InChIKey of 7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine?
The InChIKey is ZNWGKVDZSFSJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S/c1-2-11-14(12-4-3-7-18-12)16-13-8-10(9-15)5-6-17(11)13/h3-8H,2,9H2,1H3.
What are the key properties of 7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine?
7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine has a molecular weight of 276.79 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 82064405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).