2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide

C21H20N2 — CID 69168146

IUPAC2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide
SMILESN/C(Cc1ccccc1)=N\Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c22-21(15-17-7-3-1-4-8-17)23-16-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,22,23)
InChIKeyDSUGQCAPJQZWFC-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.45
Rot. Bonds5

About 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide

2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide (PubChem CID 69168146) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide.

Molecular Properties

Compound Name2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide
PubChem CID69168146
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide
SMILESN/C(Cc1ccccc1)=N\Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c22-21(15-17-7-3-1-4-8-17)23-16-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,22,23)
InChIKeyDSUGQCAPJQZWFC-UHFFFAOYSA-N
XLogP4.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide 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 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide?
The IUPAC name of 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide (CID 69168146) is 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide.
What is the SMILES notation for 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide?
The canonical SMILES for 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide is N/C(Cc1ccccc1)=N\Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide?
The InChIKey is DSUGQCAPJQZWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c22-21(15-17-7-3-1-4-8-17)23-16-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,22,23).
What are the key properties of 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide?
2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide has a molecular weight of 300.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide is sourced from PubChem (CID 69168146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).