2-chloro-5-ethoxy-4-methoxy-1H-imidazole

C6H9ClN2O2 — CID 148549788

IUPAC2-chloro-5-ethoxy-4-methoxy-1H-imidazole
SMILESCCOc1[nH]c(Cl)nc1OC
InChIInChI=1S/C6H9ClN2O2/c1-3-11-5-4(10-2)8-6(7)9-5/h3H2,1-2H3,(H,8,9)
InChIKeyXTUHFBUWDGSZIX-UHFFFAOYSA-N
MW176.60 g/mol
LogP1.47
Rot. Bonds3

About 2-chloro-5-ethoxy-4-methoxy-1H-imidazole

2-chloro-5-ethoxy-4-methoxy-1H-imidazole (PubChem CID 148549788) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 2-chloro-5-ethoxy-4-methoxy-1H-imidazole.

Molecular Properties

Compound Name2-chloro-5-ethoxy-4-methoxy-1H-imidazole
PubChem CID148549788
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name2-chloro-5-ethoxy-4-methoxy-1H-imidazole
SMILESCCOc1[nH]c(Cl)nc1OC
InChIInChI=1S/C6H9ClN2O2/c1-3-11-5-4(10-2)8-6(7)9-5/h3H2,1-2H3,(H,8,9)
InChIKeyXTUHFBUWDGSZIX-UHFFFAOYSA-N
XLogP1.47
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethoxy-4-methoxy-1H-imidazole?
The IUPAC name of 2-chloro-5-ethoxy-4-methoxy-1H-imidazole (CID 148549788) is 2-chloro-5-ethoxy-4-methoxy-1H-imidazole.
What is the SMILES notation for 2-chloro-5-ethoxy-4-methoxy-1H-imidazole?
The canonical SMILES for 2-chloro-5-ethoxy-4-methoxy-1H-imidazole is CCOc1[nH]c(Cl)nc1OC.
What is the InChIKey of 2-chloro-5-ethoxy-4-methoxy-1H-imidazole?
The InChIKey is XTUHFBUWDGSZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2/c1-3-11-5-4(10-2)8-6(7)9-5/h3H2,1-2H3,(H,8,9).
What are the key properties of 2-chloro-5-ethoxy-4-methoxy-1H-imidazole?
2-chloro-5-ethoxy-4-methoxy-1H-imidazole has a molecular weight of 176.60 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethoxy-4-methoxy-1H-imidazole is sourced from PubChem (CID 148549788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).