1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid

C19H24N2O6 — CID 2923617

IUPAC1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid
SMILESC=CCc1cc(C)ccc1OCCOCCn1ccnc1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O2.C2H2O4/c1-3-4-16-13-15(2)5-6-17(16)21-12-11-20-10-9-19-8-7-18-14-19;3-1(4)2(5)6/h3,5-8,13-14H,1,4,9-12H2,2H3;(H,3,4)(H,5,6)
InChIKeyUMONSKMCLAJJEG-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.17
Rot. Bonds9

About 1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid

1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid (PubChem CID 2923617) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid
PubChem CID2923617
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid
SMILESC=CCc1cc(C)ccc1OCCOCCn1ccnc1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O2.C2H2O4/c1-3-4-16-13-15(2)5-6-17(16)21-12-11-20-10-9-19-8-7-18-14-19;3-1(4)2(5)6/h3,5-8,13-14H,1,4,9-12H2,2H3;(H,3,4)(H,5,6)
InChIKeyUMONSKMCLAJJEG-UHFFFAOYSA-N
XLogP2.17
TPSA110.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid?
The IUPAC name of 1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid (CID 2923617) is 1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid.
What is the SMILES notation for 1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid?
The canonical SMILES for 1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid is C=CCc1cc(C)ccc1OCCOCCn1ccnc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid?
The InChIKey is UMONSKMCLAJJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.C2H2O4/c1-3-4-16-13-15(2)5-6-17(16)21-12-11-20-10-9-19-8-7-18-14-19;3-1(4)2(5)6/h3,5-8,13-14H,1,4,9-12H2,2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid?
1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid has a molecular weight of 376.41 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]imidazole;oxalic acid is sourced from PubChem (CID 2923617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).