1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid

C14H15ClN2O5 — CID 2935814

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid
SMILESCc1nccn1CCOc1ccc(Cl)cc1.O=C(O)C(=O)O
InChIInChI=1S/C12H13ClN2O.C2H2O4/c1-10-14-6-7-15(10)8-9-16-12-4-2-11(13)3-5-12;3-1(4)2(5)6/h2-7H,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyWNUQUEGCNKBVCL-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid

1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid (PubChem CID 2935814) has the molecular formula C14H15ClN2O5 and a molecular weight of 326.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid
PubChem CID2935814
Molecular FormulaC14H15ClN2O5
Molecular Weight326.74 g/mol
Exact Mass326.07
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid
SMILESCc1nccn1CCOc1ccc(Cl)cc1.O=C(O)C(=O)O
InChIInChI=1S/C12H13ClN2O.C2H2O4/c1-10-14-6-7-15(10)8-9-16-12-4-2-11(13)3-5-12;3-1(4)2(5)6/h2-7H,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyWNUQUEGCNKBVCL-UHFFFAOYSA-N
XLogP2.08
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid (CID 2935814) is 1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid is Cc1nccn1CCOc1ccc(Cl)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid?
The InChIKey is WNUQUEGCNKBVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O.C2H2O4/c1-10-14-6-7-15(10)8-9-16-12-4-2-11(13)3-5-12;3-1(4)2(5)6/h2-7H,8-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid?
1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid has a molecular weight of 326.74 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2-methylimidazole;oxalic acid is sourced from PubChem (CID 2935814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).