[4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate

C16H14N4O2 — CID 59800578

IUPAC[4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate
SMILES[H]/N=C/Oc1ccc(/N=C/C=N/c2ccc(O/C=N/[H])cc2)cc1
InChIInChI=1S/C16H14N4O2/c17-11-21-15-5-1-13(2-6-15)19-9-10-20-14-3-7-16(8-4-14)22-12-18/h1-12,17-18H/b17-11+,18-12+,19-9+,20-10+
InChIKeyLKASPNFXJRRXIH-YCDFGEQTSA-N
MW294.31 g/mol
LogP3.76
Rot. Bonds7

About [4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate

[4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate (PubChem CID 59800578) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is [4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate.

Molecular Properties

Compound Name[4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate
PubChem CID59800578
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name[4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate
SMILES[H]/N=C/Oc1ccc(/N=C/C=N/c2ccc(O/C=N/[H])cc2)cc1
InChIInChI=1S/C16H14N4O2/c17-11-21-15-5-1-13(2-6-15)19-9-10-20-14-3-7-16(8-4-14)22-12-18/h1-12,17-18H/b17-11+,18-12+,19-9+,20-10+
InChIKeyLKASPNFXJRRXIH-YCDFGEQTSA-N
XLogP3.76
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate?
The IUPAC name of [4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate (CID 59800578) is [4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate.
What is the SMILES notation for [4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate?
The canonical SMILES for [4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate is [H]/N=C/Oc1ccc(/N=C/C=N/c2ccc(O/C=N/[H])cc2)cc1.
What is the InChIKey of [4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate?
The InChIKey is LKASPNFXJRRXIH-YCDFGEQTSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-11-21-15-5-1-13(2-6-15)19-9-10-20-14-3-7-16(8-4-14)22-12-18/h1-12,17-18H/b17-11+,18-12+,19-9+,20-10+.
What are the key properties of [4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate?
[4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate has a molecular weight of 294.31 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate is sourced from PubChem (CID 59800578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).