4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid

C7H8Cl2N2O3 — CID 23461045

IUPAC4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid
SMILESCCOCn1c(C(=O)O)nc(Cl)c1Cl
InChIInChI=1S/C7H8Cl2N2O3/c1-2-14-3-11-5(9)4(8)10-6(11)7(12)13/h2-3H2,1H3,(H,12,13)
InChIKeyPHXWCECWPCMMPR-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.88
Rot. Bonds4

About 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid

4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid (PubChem CID 23461045) has the molecular formula C7H8Cl2N2O3 and a molecular weight of 239.06 g/mol. Its IUPAC name is 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid
PubChem CID23461045
Molecular FormulaC7H8Cl2N2O3
Molecular Weight239.06 g/mol
Exact Mass237.99
IUPAC Name4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid
SMILESCCOCn1c(C(=O)O)nc(Cl)c1Cl
InChIInChI=1S/C7H8Cl2N2O3/c1-2-14-3-11-5(9)4(8)10-6(11)7(12)13/h2-3H2,1H3,(H,12,13)
InChIKeyPHXWCECWPCMMPR-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid?
The IUPAC name of 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid (CID 23461045) is 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid.
What is the SMILES notation for 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid?
The canonical SMILES for 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid is CCOCn1c(C(=O)O)nc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid?
The InChIKey is PHXWCECWPCMMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O3/c1-2-14-3-11-5(9)4(8)10-6(11)7(12)13/h2-3H2,1H3,(H,12,13).
What are the key properties of 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid?
4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid has a molecular weight of 239.06 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylic acid is sourced from PubChem (CID 23461045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).