1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid

C18H18N2O5 — CID 2843775

IUPAC1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc2cc(OCCCn3ccnc3)ccc2c1
InChIInChI=1S/C16H16N2O.C2H2O4/c1-2-5-15-12-16(7-6-14(15)4-1)19-11-3-9-18-10-8-17-13-18;3-1(4)2(5)6/h1-2,4-8,10,12-13H,3,9,11H2;(H,3,4)(H,5,6)
InChIKeyOYJLRQCORVFFKZ-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.66
Rot. Bonds5

About 1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid

1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid (PubChem CID 2843775) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid.

Molecular Properties

Compound Name1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid
PubChem CID2843775
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc2cc(OCCCn3ccnc3)ccc2c1
InChIInChI=1S/C16H16N2O.C2H2O4/c1-2-5-15-12-16(7-6-14(15)4-1)19-11-3-9-18-10-8-17-13-18;3-1(4)2(5)6/h1-2,4-8,10,12-13H,3,9,11H2;(H,3,4)(H,5,6)
InChIKeyOYJLRQCORVFFKZ-UHFFFAOYSA-N
XLogP2.66
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.66
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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Related Compounds

Acrylic acid derivative, 12
CID 10294289
1-Imidazol-1-yl-3-(4-octylphenoxy)propan-2-one
CID 46230393
1-[3-(2-allyl-4-methylphenoxy)propyl]-1H-imidazole oxalate
CID 2923510
3-[6-(2-Dimethylamino-1-imidazol-1-yl-butyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionic acid
CID 11315814
3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl)naphthalen-2-yloxy)-2,2-dimethylpropanoic acid
CID 11773824
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionic acid
CID 44410799
1-Imidazol-1-yl-3-(naphthalen-2-yloxy)-propan-2-ol
CID 652948
1-[3-(3-ethylphenoxy)propyl]-1H-imidazole oxalate
CID 2922791
1-[3-(2-tert-butyl-5-methylphenoxy)propyl]-1H-imidazole oxalate
CID 2923192
1-{2-[2-(2-allyl-4-methylphenoxy)ethoxy]ethyl}-1H-imidazole oxalate
CID 2923617
1-[2-(3-isopropyl-5-methylphenoxy)ethyl]-1H-imidazole oxalate
CID 2923685
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]-1H-imidazole oxalate
CID 2924025

Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid?
The IUPAC name of 1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid (CID 2843775) is 1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid.
What is the SMILES notation for 1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid?
The canonical SMILES for 1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid is O=C(O)C(=O)O.c1ccc2cc(OCCCn3ccnc3)ccc2c1.
What is the InChIKey of 1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid?
The InChIKey is OYJLRQCORVFFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.C2H2O4/c1-2-5-15-12-16(7-6-14(15)4-1)19-11-3-9-18-10-8-17-13-18;3-1(4)2(5)6/h1-2,4-8,10,12-13H,3,9,11H2;(H,3,4)(H,5,6).
What are the key properties of 1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid?
1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid has a molecular weight of 342.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-2-yloxypropyl)imidazole;oxalic acid is sourced from PubChem (CID 2843775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).