2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate

C15H12N2O4-2 — CID 162678930

IUPAC2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate
SMILESO=C([O-])C(=O)[O-].c1ccc2cc(C3=NCCN3)ccc2c1
InChIInChI=1S/C13H12N2.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/h1-6,9H,7-8H2,(H,14,15);(H,3,4)(H,5,6)/p-2
InChIKeyLSGXLXVKKUXDTD-UHFFFAOYSA-L
MW284.27 g/mol
LogP-1.32
Rot. Bonds1

About 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate

2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate (PubChem CID 162678930) has the molecular formula C15H12N2O4-2 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate.

Molecular Properties

Compound Name2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate
PubChem CID162678930
Molecular FormulaC15H12N2O4-2
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate
SMILESO=C([O-])C(=O)[O-].c1ccc2cc(C3=NCCN3)ccc2c1
InChIInChI=1S/C13H12N2.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/h1-6,9H,7-8H2,(H,14,15);(H,3,4)(H,5,6)/p-2
InChIKeyLSGXLXVKKUXDTD-UHFFFAOYSA-L
XLogP-1.32
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-4,5-dihydro-1H-imidazole;oxalate?
The IUPAC name of 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate (CID 162678930) is 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate.
What is the SMILES notation for 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate?
The canonical SMILES for 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate is O=C([O-])C(=O)[O-].c1ccc2cc(C3=NCCN3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate?
The InChIKey is LSGXLXVKKUXDTD-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H12N2.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/h1-6,9H,7-8H2,(H,14,15);(H,3,4)(H,5,6)/p-2.
What are the key properties of 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate?
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate has a molecular weight of 284.27 g/mol, XLogP of -1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate is sourced from PubChem (CID 162678930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).