ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate

C9H12Cl2N2O3 — CID 54156453

IUPACethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate
SMILESCCOCn1c(C(=O)OCC)nc(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N2O3/c1-3-15-5-13-7(11)6(10)12-8(13)9(14)16-4-2/h3-5H2,1-2H3
InChIKeyOLKCZXSYRHOBAE-UHFFFAOYSA-N
MW267.11 g/mol
LogP2.36
Rot. Bonds5

About ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate

ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate (PubChem CID 54156453) has the molecular formula C9H12Cl2N2O3 and a molecular weight of 267.11 g/mol. Its IUPAC name is ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate
PubChem CID54156453
Molecular FormulaC9H12Cl2N2O3
Molecular Weight267.11 g/mol
Exact Mass266.02
IUPAC Nameethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate
SMILESCCOCn1c(C(=O)OCC)nc(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N2O3/c1-3-15-5-13-7(11)6(10)12-8(13)9(14)16-4-2/h3-5H2,1-2H3
InChIKeyOLKCZXSYRHOBAE-UHFFFAOYSA-N
XLogP2.36
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate?
The IUPAC name of ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate (CID 54156453) is ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate.
What is the SMILES notation for ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate?
The canonical SMILES for ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate is CCOCn1c(C(=O)OCC)nc(Cl)c1Cl.
What is the InChIKey of ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate?
The InChIKey is OLKCZXSYRHOBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O3/c1-3-15-5-13-7(11)6(10)12-8(13)9(14)16-4-2/h3-5H2,1-2H3.
What are the key properties of ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate?
ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate has a molecular weight of 267.11 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate is sourced from PubChem (CID 54156453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).