5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole

C9H8Cl2N2S — CID 117259368

IUPAC5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole
SMILESCCn1c(Cl)cnc1-c1ccc(Cl)s1
InChIInChI=1S/C9H8Cl2N2S/c1-2-13-7(10)5-12-9(13)6-3-4-8(11)14-6/h3-5H,2H2,1H3
InChIKeyDJYIOXCYIAOKAZ-UHFFFAOYSA-N
MW247.15 g/mol
LogP3.94
Rot. Bonds2

About 5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole

5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole (PubChem CID 117259368) has the molecular formula C9H8Cl2N2S and a molecular weight of 247.15 g/mol. Its IUPAC name is 5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole.

Molecular Properties

Compound Name5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole
PubChem CID117259368
Molecular FormulaC9H8Cl2N2S
Molecular Weight247.15 g/mol
Exact Mass245.98
IUPAC Name5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole
SMILESCCn1c(Cl)cnc1-c1ccc(Cl)s1
InChIInChI=1S/C9H8Cl2N2S/c1-2-13-7(10)5-12-9(13)6-3-4-8(11)14-6/h3-5H,2H2,1H3
InChIKeyDJYIOXCYIAOKAZ-UHFFFAOYSA-N
XLogP3.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-ethyl-2-(4-methylphenyl)imidazole
CID 117259483
4-(5-chloro-1-ethylimidazol-2-yl)phenol
CID 137000636
5-chloro-1-ethylimidazol-2-amine
CID 117260387
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
CID 59009299
5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid
CID 82088851
[3-(5-chlorothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]methanol
CID 117152250
3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141103
3-(5-chlorothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
CID 117150203
2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole
CID 117260050
2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine
CID 130756455
[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol
CID 131160800
5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine
CID 116976967

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole?
The IUPAC name of 5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole (CID 117259368) is 5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole.
What is the SMILES notation for 5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole?
The canonical SMILES for 5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole is CCn1c(Cl)cnc1-c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole?
The InChIKey is DJYIOXCYIAOKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2S/c1-2-13-7(10)5-12-9(13)6-3-4-8(11)14-6/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole?
5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole has a molecular weight of 247.15 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole is sourced from PubChem (CID 117259368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).