(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine

C22H20N4O — CID 59973061

IUPAC(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine
SMILESC/C(=N\N=C/c1ccccc1)c1ccc(/C(C)=N/N=C\c2ccccc2)o1
InChIInChI=1S/C22H20N4O/c1-17(25-23-15-19-9-5-3-6-10-19)21-13-14-22(27-21)18(2)26-24-16-20-11-7-4-8-12-20/h3-16H,1-2H3/b23-15-,24-16-,25-17+,26-18+
InChIKeyUJYKOUVSQYBRKC-WMJZLZNISA-N
MW356.43 g/mol
LogP4.97
Rot. Bonds6

About (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine

(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine (PubChem CID 59973061) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine
PubChem CID59973061
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine
SMILESC/C(=N\N=C/c1ccccc1)c1ccc(/C(C)=N/N=C\c2ccccc2)o1
InChIInChI=1S/C22H20N4O/c1-17(25-23-15-19-9-5-3-6-10-19)21-13-14-22(27-21)18(2)26-24-16-20-11-7-4-8-12-20/h3-16H,1-2H3/b23-15-,24-16-,25-17+,26-18+
InChIKeyUJYKOUVSQYBRKC-WMJZLZNISA-N
XLogP4.97
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
CID 59883865
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
CID 172930887
N-(benzylideneamino)-1-thiophen-2-ylethanimine
CID 4212396
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine
CID 136815583
(Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
CID 134876722
N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
CID 20701710
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-3H-pyrrol-2-yl]ethanimine;dichloroiron
CID 59883821
(E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine
CID 165352585
N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide
CID 54606152
N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide
CID 177423600

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
The IUPAC name of (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine (CID 59973061) is (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine.
What is the SMILES notation for (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
The canonical SMILES for (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine is C/C(=N\N=C/c1ccccc1)c1ccc(/C(C)=N/N=C\c2ccccc2)o1.
What is the InChIKey of (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
The InChIKey is UJYKOUVSQYBRKC-WMJZLZNISA-N. The full InChI is InChI=1S/C22H20N4O/c1-17(25-23-15-19-9-5-3-6-10-19)21-13-14-22(27-21)18(2)26-24-16-20-11-7-4-8-12-20/h3-16H,1-2H3/b23-15-,24-16-,25-17+,26-18+.
What are the key properties of (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine has a molecular weight of 356.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine is sourced from PubChem (CID 59973061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).