N'-benzyl-3-phenylbenzenecarboximidamide

C20H18N2 — CID 142527130

IUPACN'-benzyl-3-phenylbenzenecarboximidamide
SMILESN/C(=N\Cc1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H18N2/c21-20(22-15-16-8-3-1-4-9-16)19-13-7-12-18(14-19)17-10-5-2-6-11-17/h1-14H,15H2,(H2,21,22)
InChIKeyMLTUNLYPTAAORX-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.26
Rot. Bonds4

About N'-benzyl-3-phenylbenzenecarboximidamide

N'-benzyl-3-phenylbenzenecarboximidamide (PubChem CID 142527130) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-benzyl-3-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-3-phenylbenzenecarboximidamide
PubChem CID142527130
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC NameN'-benzyl-3-phenylbenzenecarboximidamide
SMILESN/C(=N\Cc1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H18N2/c21-20(22-15-16-8-3-1-4-9-16)19-13-7-12-18(14-19)17-10-5-2-6-11-17/h1-14H,15H2,(H2,21,22)
InChIKeyMLTUNLYPTAAORX-UHFFFAOYSA-N
XLogP4.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.26
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'}

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Related Compounds

N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
CID 169205876
N'-hydroxy-3-phenylbenzenecarboximidamide
CID 6023857
N-[amino-(3-phenylphenyl)methylidene]-N'-benzylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-21-carboximidamide
CID 145340289
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
N'-benzyl-2,1,3-benzothiadiazole-5-carboximidamide
CID 20706472
N'-[(3-cyanophenyl)methyl]benzenecarboximidamide
CID 63175867
N'-benzyl-3-[4-[12-(3-isocyanophenyl)chrysen-6-yl]naphthalen-1-yl]benzenecarboximidamide
CID 164766385
3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide
CID 174087200
3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide
CID 142515838
N'-[N-benzyl-C-[3-(3-phenylphenyl)phenyl]carbonimidoyl]-9,9-dimethylfluorene-4-carboximidamide
CID 145237270

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-3-phenylbenzenecarboximidamide?
The IUPAC name of N'-benzyl-3-phenylbenzenecarboximidamide (CID 142527130) is N'-benzyl-3-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-3-phenylbenzenecarboximidamide?
The canonical SMILES for N'-benzyl-3-phenylbenzenecarboximidamide is N/C(=N\Cc1ccccc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N'-benzyl-3-phenylbenzenecarboximidamide?
The InChIKey is MLTUNLYPTAAORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c21-20(22-15-16-8-3-1-4-9-16)19-13-7-12-18(14-19)17-10-5-2-6-11-17/h1-14H,15H2,(H2,21,22).
What are the key properties of N'-benzyl-3-phenylbenzenecarboximidamide?
N'-benzyl-3-phenylbenzenecarboximidamide has a molecular weight of 286.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-3-phenylbenzenecarboximidamide is sourced from PubChem (CID 142527130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).