2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile

C19H13N5 — CID 86278887

IUPAC2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile
SMILESCN1C(c2ccccc2)=NC(=C(C#N)C#N)/C1=N/c1ccccc1
InChIInChI=1S/C19H13N5/c1-24-18(14-8-4-2-5-9-14)23-17(15(12-20)13-21)19(24)22-16-10-6-3-7-11-16/h2-11H,1H3/b22-19-
InChIKeySFBKYZMGAOXKQI-QOCHGBHMSA-N
MW311.35 g/mol
LogP3.41
Rot. Bonds2

About 2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile

2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile (PubChem CID 86278887) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile
PubChem CID86278887
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile
SMILESCN1C(c2ccccc2)=NC(=C(C#N)C#N)/C1=N/c1ccccc1
InChIInChI=1S/C19H13N5/c1-24-18(14-8-4-2-5-9-14)23-17(15(12-20)13-21)19(24)22-16-10-6-3-7-11-16/h2-11H,1H3/b22-19-
InChIKeySFBKYZMGAOXKQI-QOCHGBHMSA-N
XLogP3.41
TPSA75.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile?
The IUPAC name of 2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile (CID 86278887) is 2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile.
What is the SMILES notation for 2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile?
The canonical SMILES for 2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile is CN1C(c2ccccc2)=NC(=C(C#N)C#N)/C1=N/c1ccccc1.
What is the InChIKey of 2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile?
The InChIKey is SFBKYZMGAOXKQI-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H13N5/c1-24-18(14-8-4-2-5-9-14)23-17(15(12-20)13-21)19(24)22-16-10-6-3-7-11-16/h2-11H,1H3/b22-19-.
What are the key properties of 2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile?
2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile has a molecular weight of 311.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile is sourced from PubChem (CID 86278887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).