ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate

C9H10Cl2N2O4 — CID 57134113

IUPACethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)c(Cl)n1COC(C)=O
InChIInChI=1S/C9H10Cl2N2O4/c1-3-16-9(15)8-12-6(10)7(11)13(8)4-17-5(2)14/h3-4H2,1-2H3
InChIKeyFARSHSBAPLYHAC-UHFFFAOYSA-N
MW281.09 g/mol
LogP1.89
Rot. Bonds4

About ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate

ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate (PubChem CID 57134113) has the molecular formula C9H10Cl2N2O4 and a molecular weight of 281.09 g/mol. Its IUPAC name is ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate
PubChem CID57134113
Molecular FormulaC9H10Cl2N2O4
Molecular Weight281.09 g/mol
Exact Mass280.00
IUPAC Nameethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)c(Cl)n1COC(C)=O
InChIInChI=1S/C9H10Cl2N2O4/c1-3-16-9(15)8-12-6(10)7(11)13(8)4-17-5(2)14/h3-4H2,1-2H3
InChIKeyFARSHSBAPLYHAC-UHFFFAOYSA-N
XLogP1.89
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate?
The IUPAC name of ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate (CID 57134113) is ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate?
The canonical SMILES for ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate is CCOC(=O)c1nc(Cl)c(Cl)n1COC(C)=O.
What is the InChIKey of ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate?
The InChIKey is FARSHSBAPLYHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O4/c1-3-16-9(15)8-12-6(10)7(11)13(8)4-17-5(2)14/h3-4H2,1-2H3.
What are the key properties of ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate?
ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate has a molecular weight of 281.09 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(acetyloxymethyl)-4,5-dichloroimidazole-2-carboxylate is sourced from PubChem (CID 57134113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).