1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine

C18H15N3O — CID 6610626

IUPAC1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine
SMILESCc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)o1
InChIInChI=1S/C18H15N3O/c1-14-7-12-18(22-14)13-19-15-8-10-17(11-9-15)21-20-16-5-3-2-4-6-16/h2-13H,1H3/b19-13+,21-20+
InChIKeyIRUUBBCTTQUYIO-NFRJKQOXSA-N
MW289.34 g/mol
LogP5.75
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine

1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine (PubChem CID 6610626) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine
PubChem CID6610626
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine
SMILESCc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)o1
InChIInChI=1S/C18H15N3O/c1-14-7-12-18(22-14)13-19-15-8-10-17(11-9-15)21-20-16-5-3-2-4-6-16/h2-13H,1H3/b19-13+,21-20+
InChIKeyIRUUBBCTTQUYIO-NFRJKQOXSA-N
XLogP5.75
TPSA50.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.34
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine (CID 6610626) is 1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine is Cc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine?
The InChIKey is IRUUBBCTTQUYIO-NFRJKQOXSA-N. The full InChI is InChI=1S/C18H15N3O/c1-14-7-12-18(22-14)13-19-15-8-10-17(11-9-15)21-20-16-5-3-2-4-6-16/h2-13H,1H3/b19-13+,21-20+.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine?
1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine has a molecular weight of 289.34 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-(4-phenyldiazenylphenyl)methanimine is sourced from PubChem (CID 6610626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).