1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid

C13H12Cl2N2O5 — CID 2923973

IUPAC1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid
SMILESClc1ccc(OCCn2ccnc2)cc1Cl.O=C(O)C(=O)O
InChIInChI=1S/C11H10Cl2N2O.C2H2O4/c12-10-2-1-9(7-11(10)13)16-6-5-15-4-3-14-8-15;3-1(4)2(5)6/h1-4,7-8H,5-6H2;(H,3,4)(H,5,6)
InChIKeyOGJWXUSXCDWAOQ-UHFFFAOYSA-N
MW347.15 g/mol
LogP2.42
Rot. Bonds4

About 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid

1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid (PubChem CID 2923973) has the molecular formula C13H12Cl2N2O5 and a molecular weight of 347.15 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid
PubChem CID2923973
Molecular FormulaC13H12Cl2N2O5
Molecular Weight347.15 g/mol
Exact Mass346.01
IUPAC Name1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid
SMILESClc1ccc(OCCn2ccnc2)cc1Cl.O=C(O)C(=O)O
InChIInChI=1S/C11H10Cl2N2O.C2H2O4/c12-10-2-1-9(7-11(10)13)16-6-5-15-4-3-14-8-15;3-1(4)2(5)6/h1-4,7-8H,5-6H2;(H,3,4)(H,5,6)
InChIKeyOGJWXUSXCDWAOQ-UHFFFAOYSA-N
XLogP2.42
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid 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 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid (CID 2923973) is 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid is Clc1ccc(OCCn2ccnc2)cc1Cl.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid?
The InChIKey is OGJWXUSXCDWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O.C2H2O4/c12-10-2-1-9(7-11(10)13)16-6-5-15-4-3-14-8-15;3-1(4)2(5)6/h1-4,7-8H,5-6H2;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid?
1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid has a molecular weight of 347.15 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole;oxalic acid is sourced from PubChem (CID 2923973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).