bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid

C30H30N4O4 — CID 173124873

IUPACbis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid
SMILESC(=C1/CCCc2ccccc21)\c1cnc[nH]1.C(=C1/CCCc2ccccc21)\c1cnc[nH]1.O=C(O)C(=O)O
InChIInChI=1S/2C14H14N2.C2H2O4/c2*1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13;3-1(4)2(5)6/h2*1-2,4,7-10H,3,5-6H2,(H,15,16);(H,3,4)(H,5,6)/b2*12-8-;
InChIKeyAFWRJLVRMAQBJM-BEDSROTNSA-N
MW510.59 g/mol
LogP5.73
Rot. Bonds2

About bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid

bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid (PubChem CID 173124873) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid.

Molecular Properties

Compound Namebis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid
PubChem CID173124873
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Namebis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid
SMILESC(=C1/CCCc2ccccc21)\c1cnc[nH]1.C(=C1/CCCc2ccccc21)\c1cnc[nH]1.O=C(O)C(=O)O
InChIInChI=1S/2C14H14N2.C2H2O4/c2*1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13;3-1(4)2(5)6/h2*1-2,4,7-10H,3,5-6H2,(H,15,16);(H,3,4)(H,5,6)/b2*12-8-;
InChIKeyAFWRJLVRMAQBJM-BEDSROTNSA-N
XLogP5.73
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid?
The IUPAC name of bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid (CID 173124873) is bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid.
What is the SMILES notation for bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid?
The canonical SMILES for bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid is C(=C1/CCCc2ccccc21)\c1cnc[nH]1.C(=C1/CCCc2ccccc21)\c1cnc[nH]1.O=C(O)C(=O)O.
What is the InChIKey of bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid?
The InChIKey is AFWRJLVRMAQBJM-BEDSROTNSA-N. The full InChI is InChI=1S/2C14H14N2.C2H2O4/c2*1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13;3-1(4)2(5)6/h2*1-2,4,7-10H,3,5-6H2,(H,15,16);(H,3,4)(H,5,6)/b2*12-8-;.
What are the key properties of bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid?
bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid has a molecular weight of 510.59 g/mol, XLogP of 5.73, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid is sourced from PubChem (CID 173124873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).