1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid

C19H26N2O5 — CID 2923192

IUPAC1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid
SMILESCc1ccc(C(C)(C)C)c(OCCCn2ccnc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O.C2H2O4/c1-14-6-7-15(17(2,3)4)16(12-14)20-11-5-9-19-10-8-18-13-19;3-1(4)2(5)6/h6-8,10,12-13H,5,9,11H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyOGJJQWLSFUFBML-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.11
Rot. Bonds5

About 1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid

1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid (PubChem CID 2923192) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid.

Molecular Properties

Compound Name1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid
PubChem CID2923192
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid
SMILESCc1ccc(C(C)(C)C)c(OCCCn2ccnc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O.C2H2O4/c1-14-6-7-15(17(2,3)4)16(12-14)20-11-5-9-19-10-8-18-13-19;3-1(4)2(5)6/h6-8,10,12-13H,5,9,11H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyOGJJQWLSFUFBML-UHFFFAOYSA-N
XLogP3.11
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid?
The IUPAC name of 1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid (CID 2923192) is 1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid.
What is the SMILES notation for 1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid?
The canonical SMILES for 1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid is Cc1ccc(C(C)(C)C)c(OCCCn2ccnc2)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid?
The InChIKey is OGJJQWLSFUFBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.C2H2O4/c1-14-6-7-15(17(2,3)4)16(12-14)20-11-5-9-19-10-8-18-13-19;3-1(4)2(5)6/h6-8,10,12-13H,5,9,11H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of 1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid?
1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid has a molecular weight of 362.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-tert-butyl-5-methylphenoxy)propyl]imidazole;oxalic acid is sourced from PubChem (CID 2923192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).