methyl 2-(4,5-dichloroimidazol-1-yl)acetate

C6H6Cl2N2O2 — CID 45491733

IUPACmethyl 2-(4,5-dichloroimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2O2/c1-12-4(11)2-10-3-9-5(7)6(10)8/h3H,2H2,1H3
InChIKeyRFCZCRJMGOZVDG-UHFFFAOYSA-N
MW209.03 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-(4,5-dichloroimidazol-1-yl)acetate

methyl 2-(4,5-dichloroimidazol-1-yl)acetate (PubChem CID 45491733) has the molecular formula C6H6Cl2N2O2 and a molecular weight of 209.03 g/mol. Its IUPAC name is methyl 2-(4,5-dichloroimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dichloroimidazol-1-yl)acetate
PubChem CID45491733
Molecular FormulaC6H6Cl2N2O2
Molecular Weight209.03 g/mol
Exact Mass207.98
IUPAC Namemethyl 2-(4,5-dichloroimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2O2/c1-12-4(11)2-10-3-9-5(7)6(10)8/h3H,2H2,1H3
InChIKeyRFCZCRJMGOZVDG-UHFFFAOYSA-N
XLogP1.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dichloroimidazol-1-yl)acetate?
The IUPAC name of methyl 2-(4,5-dichloroimidazol-1-yl)acetate (CID 45491733) is methyl 2-(4,5-dichloroimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(4,5-dichloroimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-(4,5-dichloroimidazol-1-yl)acetate is COC(=O)Cn1cnc(Cl)c1Cl.
What is the InChIKey of methyl 2-(4,5-dichloroimidazol-1-yl)acetate?
The InChIKey is RFCZCRJMGOZVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2/c1-12-4(11)2-10-3-9-5(7)6(10)8/h3H,2H2,1H3.
What are the key properties of methyl 2-(4,5-dichloroimidazol-1-yl)acetate?
methyl 2-(4,5-dichloroimidazol-1-yl)acetate has a molecular weight of 209.03 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dichloroimidazol-1-yl)acetate is sourced from PubChem (CID 45491733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).