4,5-dichloro-1-(2-methoxyethyl)imidazole

C6H8Cl2N2O — CID 58817857

IUPAC4,5-dichloro-1-(2-methoxyethyl)imidazole
SMILESCOCCn1cnc(Cl)c1Cl
InChIInChI=1S/C6H8Cl2N2O/c1-11-3-2-10-4-9-5(7)6(10)8/h4H,2-3H2,1H3
InChIKeyNJEZGUOVCKYRBX-UHFFFAOYSA-N
MW195.05 g/mol
LogP1.84
Rot. Bonds3

About 4,5-dichloro-1-(2-methoxyethyl)imidazole

4,5-dichloro-1-(2-methoxyethyl)imidazole (PubChem CID 58817857) has the molecular formula C6H8Cl2N2O and a molecular weight of 195.05 g/mol. Its IUPAC name is 4,5-dichloro-1-(2-methoxyethyl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(2-methoxyethyl)imidazole
PubChem CID58817857
Molecular FormulaC6H8Cl2N2O
Molecular Weight195.05 g/mol
Exact Mass194.00
IUPAC Name4,5-dichloro-1-(2-methoxyethyl)imidazole
SMILESCOCCn1cnc(Cl)c1Cl
InChIInChI=1S/C6H8Cl2N2O/c1-11-3-2-10-4-9-5(7)6(10)8/h4H,2-3H2,1H3
InChIKeyNJEZGUOVCKYRBX-UHFFFAOYSA-N
XLogP1.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(2-methoxyethyl)imidazole?
The IUPAC name of 4,5-dichloro-1-(2-methoxyethyl)imidazole (CID 58817857) is 4,5-dichloro-1-(2-methoxyethyl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-(2-methoxyethyl)imidazole?
The canonical SMILES for 4,5-dichloro-1-(2-methoxyethyl)imidazole is COCCn1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(2-methoxyethyl)imidazole?
The InChIKey is NJEZGUOVCKYRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N2O/c1-11-3-2-10-4-9-5(7)6(10)8/h4H,2-3H2,1H3.
What are the key properties of 4,5-dichloro-1-(2-methoxyethyl)imidazole?
4,5-dichloro-1-(2-methoxyethyl)imidazole has a molecular weight of 195.05 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(2-methoxyethyl)imidazole is sourced from PubChem (CID 58817857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).