1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine

C16H14N4 — CID 6858937

IUPAC1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine
SMILESNc1nc(-c2ccccc2)cn1/N=C/c1ccccc1
InChIInChI=1S/C16H14N4/c17-16-19-15(14-9-5-2-6-10-14)12-20(16)18-11-13-7-3-1-4-8-13/h1-12H,(H2,17,19)/b18-11+
InChIKeyWWRNHYJLVIXUEJ-WOJGMQOQSA-N
MW262.32 g/mol
LogP3.01
Rot. Bonds3

About 1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine

1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine (PubChem CID 6858937) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine
PubChem CID6858937
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine
SMILESNc1nc(-c2ccccc2)cn1/N=C/c1ccccc1
InChIInChI=1S/C16H14N4/c17-16-19-15(14-9-5-2-6-10-14)12-20(16)18-11-13-7-3-1-4-8-13/h1-12H,(H2,17,19)/b18-11+
InChIKeyWWRNHYJLVIXUEJ-WOJGMQOQSA-N
XLogP3.01
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine?
The IUPAC name of 1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine (CID 6858937) is 1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine?
The canonical SMILES for 1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine is Nc1nc(-c2ccccc2)cn1/N=C/c1ccccc1.
What is the InChIKey of 1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine?
The InChIKey is WWRNHYJLVIXUEJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14N4/c17-16-19-15(14-9-5-2-6-10-14)12-20(16)18-11-13-7-3-1-4-8-13/h1-12H,(H2,17,19)/b18-11+.
What are the key properties of 1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine?
1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine has a molecular weight of 262.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine is sourced from PubChem (CID 6858937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).