3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide

C16H16N2 — CID 142515838

IUPAC3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide
SMILESC=C(C)/N=C(\N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H16N2/c1-12(2)18-16(17)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-11H,1H2,2H3,(H2,17,18)
InChIKeyUEZOWBAELPLYFB-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.59
Rot. Bonds3

About 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide

3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide (PubChem CID 142515838) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide
PubChem CID142515838
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide
SMILESC=C(C)/N=C(\N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H16N2/c1-12(2)18-16(17)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-11H,1H2,2H3,(H2,17,18)
InChIKeyUEZOWBAELPLYFB-UHFFFAOYSA-N
XLogP3.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.59
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 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide
CID 145000761
N'-hydroxy-3-phenylbenzenecarboximidamide
CID 6023857
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335
N'-benzyl-3-phenylbenzenecarboximidamide
CID 142527130
ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine
CID 145000931
N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide
CID 121440323
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
3-phenylbenzamide;phosphoric acid
CID 130454344
1,3-diphenylbenzene;ethane;methane
CID 171489435
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine
CID 144588515
N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide
CID 138636529

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide?
The IUPAC name of 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide (CID 142515838) is 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide.
What is the SMILES notation for 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide?
The canonical SMILES for 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide is C=C(C)/N=C(\N)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide?
The InChIKey is UEZOWBAELPLYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12(2)18-16(17)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-11H,1H2,2H3,(H2,17,18).
What are the key properties of 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide?
3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide has a molecular weight of 236.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide is sourced from PubChem (CID 142515838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).