(Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide

C19H21N5 — CID 142915800

IUPAC(Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide
SMILES[H]/N=C(/N=C(N)/C=C\C(N)=N\Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H21N5/c1-14-7-9-15(10-8-14)13-23-17(20)11-12-18(21)24-19(22)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,20,23)(H3,21,22,24)/b12-11-
InChIKeyZGTBWSCXEUYFAV-QXMHVHEDSA-N
MW319.41 g/mol
LogP2.79
Rot. Bonds5

About (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide

(Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide (PubChem CID 142915800) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide.

Molecular Properties

Compound Name(Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide
PubChem CID142915800
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name(Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide
SMILES[H]/N=C(/N=C(N)/C=C\C(N)=N\Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H21N5/c1-14-7-9-15(10-8-14)13-23-17(20)11-12-18(21)24-19(22)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,20,23)(H3,21,22,24)/b12-11-
InChIKeyZGTBWSCXEUYFAV-QXMHVHEDSA-N
XLogP2.79
TPSA100.61 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide 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

N'-(benzenecarboximidoyl)benzenecarboximidamide;1-bromo-3-methylbenzene
CID 142324241
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033
benzenecarboximidamide;toluene
CID 158219006
N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide
CID 139455278
bis(ethanediimidamide);toluene
CID 70390031
[3-(trifluoromethyl)phenyl] (Z)-4-amino-4-(benzenecarboximidoylimino)but-2-enimidothioate
CID 126658454
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
methyl N-(benzenecarboximidoyl)benzenecarboximidothioate
CID 10491182
(E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
CID 69118649
4-[2-(aminomethyl)-5-chlorophenyl]-N'-(benzenecarboximidoyl)benzenecarboximidamide;benzenecarboximidamide;toluene
CID 145212337
N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide
CID 130393856
(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
CID 11971695

Frequently Asked Questions

What is the IUPAC name of (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide?
The IUPAC name of (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide (CID 142915800) is (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide.
What is the SMILES notation for (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide?
The canonical SMILES for (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide is [H]/N=C(/N=C(N)/C=C\C(N)=N\Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide?
The InChIKey is ZGTBWSCXEUYFAV-QXMHVHEDSA-N. The full InChI is InChI=1S/C19H21N5/c1-14-7-9-15(10-8-14)13-23-17(20)11-12-18(21)24-19(22)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,20,23)(H3,21,22,24)/b12-11-.
What are the key properties of (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide?
(Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide has a molecular weight of 319.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide is sourced from PubChem (CID 142915800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).