2-naphthalen-2-yl-1H-imidazole;oxalic acid

C15H12N2O4 — CID 52941610

IUPAC2-naphthalen-2-yl-1H-imidazole;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc2cc(-c3ncc[nH]3)ccc2c1
InChIInChI=1S/C13H10N2.C2H2O4/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13;3-1(4)2(5)6/h1-9H,(H,14,15);(H,3,4)(H,5,6)
InChIKeyRIKYOUPROWKIIF-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.39
Rot. Bonds1

About 2-naphthalen-2-yl-1H-imidazole;oxalic acid

2-naphthalen-2-yl-1H-imidazole;oxalic acid (PubChem CID 52941610) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1H-imidazole;oxalic acid.

Molecular Properties

Compound Name2-naphthalen-2-yl-1H-imidazole;oxalic acid
PubChem CID52941610
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-naphthalen-2-yl-1H-imidazole;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc2cc(-c3ncc[nH]3)ccc2c1
InChIInChI=1S/C13H10N2.C2H2O4/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13;3-1(4)2(5)6/h1-9H,(H,14,15);(H,3,4)(H,5,6)
InChIKeyRIKYOUPROWKIIF-UHFFFAOYSA-N
XLogP2.39
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-naphthalen-2-yl-1H-imidazole;oxalic acid?
The IUPAC name of 2-naphthalen-2-yl-1H-imidazole;oxalic acid (CID 52941610) is 2-naphthalen-2-yl-1H-imidazole;oxalic acid.
What is the SMILES notation for 2-naphthalen-2-yl-1H-imidazole;oxalic acid?
The canonical SMILES for 2-naphthalen-2-yl-1H-imidazole;oxalic acid is O=C(O)C(=O)O.c1ccc2cc(-c3ncc[nH]3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-1H-imidazole;oxalic acid?
The InChIKey is RIKYOUPROWKIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.C2H2O4/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13;3-1(4)2(5)6/h1-9H,(H,14,15);(H,3,4)(H,5,6).
What are the key properties of 2-naphthalen-2-yl-1H-imidazole;oxalic acid?
2-naphthalen-2-yl-1H-imidazole;oxalic acid has a molecular weight of 284.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1H-imidazole;oxalic acid is sourced from PubChem (CID 52941610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).