N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide

C26H26N2 — CID 144573951

IUPACN'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide
SMILESCC/C=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C26H26N2/c1-4-11-25(23-18-16-20(2)17-19-23)28-26(24-14-9-6-10-15-24)27-21(3)22-12-7-5-8-13-22/h5-19H,4H2,1-3H3/b25-11+,27-21+,28-26-
InChIKeyWIDCGOUJDXKASI-AEMDFPNRSA-N
MW366.51 g/mol
LogP6.70
Rot. Bonds5

About N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide

N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide (PubChem CID 144573951) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide
PubChem CID144573951
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC NameN'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide
SMILESCC/C=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C26H26N2/c1-4-11-25(23-18-16-20(2)17-19-23)28-26(24-14-9-6-10-15-24)27-21(3)22-12-7-5-8-13-22/h5-19H,4H2,1-3H3/b25-11+,27-21+,28-26-
InChIKeyWIDCGOUJDXKASI-AEMDFPNRSA-N
XLogP6.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The IUPAC name of N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide (CID 144573951) is N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide.
What is the SMILES notation for N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The canonical SMILES for N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide is CC/C=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The InChIKey is WIDCGOUJDXKASI-AEMDFPNRSA-N. The full InChI is InChI=1S/C26H26N2/c1-4-11-25(23-18-16-20(2)17-19-23)28-26(24-14-9-6-10-15-24)27-21(3)22-12-7-5-8-13-22/h5-19H,4H2,1-3H3/b25-11+,27-21+,28-26-.
What are the key properties of N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide?
N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide has a molecular weight of 366.51 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide is sourced from PubChem (CID 144573951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).