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

C9H8Cl2N2O — CID 117259364

IUPAC5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole
SMILESCCn1c(Cl)cnc1-c1ccc(Cl)o1
InChIInChI=1S/C9H8Cl2N2O/c1-2-13-7(10)5-12-9(13)6-3-4-8(11)14-6/h3-5H,2H2,1H3
InChIKeyMKXGBCJOICUSMA-UHFFFAOYSA-N
MW231.08 g/mol
LogP3.47
Rot. Bonds2

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

5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole (PubChem CID 117259364) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is 5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole.

Molecular Properties

Compound Name5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole
PubChem CID117259364
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole
SMILESCCn1c(Cl)cnc1-c1ccc(Cl)o1
InChIInChI=1S/C9H8Cl2N2O/c1-2-13-7(10)5-12-9(13)6-3-4-8(11)14-6/h3-5H,2H2,1H3
InChIKeyMKXGBCJOICUSMA-UHFFFAOYSA-N
XLogP3.47
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole?
The IUPAC name of 5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole (CID 117259364) is 5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole.
What is the SMILES notation for 5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole?
The canonical SMILES for 5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole is CCn1c(Cl)cnc1-c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole?
The InChIKey is MKXGBCJOICUSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/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-chlorofuran-2-yl)-1-ethylimidazole?
5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole has a molecular weight of 231.08 g/mol, XLogP of 3.47, 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-chlorofuran-2-yl)-1-ethylimidazole is sourced from PubChem (CID 117259364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).