ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate

C7H7BrCl2N2O2 — CID 2778892

IUPACethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1c(Br)nc(Cl)c1Cl
InChIInChI=1S/C7H7BrCl2N2O2/c1-2-14-4(13)3-12-6(10)5(9)11-7(12)8/h2-3H2,1H3
InChIKeyWAWSCWUMEQDCMI-UHFFFAOYSA-N
MW301.96 g/mol
LogP2.52
Rot. Bonds3

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

ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate (PubChem CID 2778892) has the molecular formula C7H7BrCl2N2O2 and a molecular weight of 301.96 g/mol. Its IUPAC name is ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate
PubChem CID2778892
Molecular FormulaC7H7BrCl2N2O2
Molecular Weight301.96 g/mol
Exact Mass299.91
IUPAC Nameethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1c(Br)nc(Cl)c1Cl
InChIInChI=1S/C7H7BrCl2N2O2/c1-2-14-4(13)3-12-6(10)5(9)11-7(12)8/h2-3H2,1H3
InChIKeyWAWSCWUMEQDCMI-UHFFFAOYSA-N
XLogP2.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.96
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 15671554
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CID 53792358
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CID 53884789
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CID 53984005
CID 53984005
CID 53992177
CID 53992177
CID 54156453
CID 54156453
CID 54261340
CID 54261340
CID 54309960
CID 54309960
CID 57134113
CID 57134113
CID 57307997
CID 57307997

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate (CID 2778892) is ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate is CCOC(=O)Cn1c(Br)nc(Cl)c1Cl.
What is the InChIKey of ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate?
The InChIKey is WAWSCWUMEQDCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrCl2N2O2/c1-2-14-4(13)3-12-6(10)5(9)11-7(12)8/h2-3H2,1H3.
What are the key properties of ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate?
ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate has a molecular weight of 301.96 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetate is sourced from PubChem (CID 2778892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).