2-chloro-1-(ethoxymethyl)imidazole

C6H9ClN2O — CID 2773326

IUPAC2-chloro-1-(ethoxymethyl)imidazole
SMILESCCOCn1ccnc1Cl
InChIInChI=1S/C6H9ClN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
InChIKeyDONYAQVHLUVENE-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.53
Rot. Bonds3

About 2-chloro-1-(ethoxymethyl)imidazole

2-chloro-1-(ethoxymethyl)imidazole (PubChem CID 2773326) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 2-chloro-1-(ethoxymethyl)imidazole.

Molecular Properties

Compound Name2-chloro-1-(ethoxymethyl)imidazole
PubChem CID2773326
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name2-chloro-1-(ethoxymethyl)imidazole
SMILESCCOCn1ccnc1Cl
InChIInChI=1S/C6H9ClN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
InChIKeyDONYAQVHLUVENE-UHFFFAOYSA-N
XLogP1.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylimidazole
CID 1390
1,2-Dimethylimidazole
CID 15617
1-Vinylimidazole
CID 66171
1-Ethyl-3-methylimidazolium ethylsulfate
CID 12095229
1-Ethyl-3-methylimidazolium chloride
CID 2734160
n-Propylimidazole
CID 118785
1-Ethyl-3-methylimidazolium iodide
CID 11075478
1,3-Dimethylimidazolium Iodide
CID 20334
Ethyl 1H-imidazole-1-carboxylate
CID 87963
1-Ethyl-1H-imidazole
CID 81540
1-Methyl-1H-imidazol-2-amine
CID 566321
1H-Imidazole, 1-ethenyl-2-methyl-
CID 76109

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(ethoxymethyl)imidazole?
The IUPAC name of 2-chloro-1-(ethoxymethyl)imidazole (CID 2773326) is 2-chloro-1-(ethoxymethyl)imidazole.
What is the SMILES notation for 2-chloro-1-(ethoxymethyl)imidazole?
The canonical SMILES for 2-chloro-1-(ethoxymethyl)imidazole is CCOCn1ccnc1Cl.
What is the InChIKey of 2-chloro-1-(ethoxymethyl)imidazole?
The InChIKey is DONYAQVHLUVENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3.
What are the key properties of 2-chloro-1-(ethoxymethyl)imidazole?
2-chloro-1-(ethoxymethyl)imidazole has a molecular weight of 160.60 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(ethoxymethyl)imidazole is sourced from PubChem (CID 2773326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).