N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide

C22H19N3O — CID 135627037

IUPACN'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide
SMILESN/C(=N\N=C\C=C(c1ccccc1)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H19N3O/c23-22(19-11-13-20(26)14-12-19)25-24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,26H,(H2,23,25)/b24-16+
InChIKeyKQWZFLGNGMIVAZ-LFVJCYFKSA-N
MW341.41 g/mol
LogP4.22
Rot. Bonds5

About N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide

N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide (PubChem CID 135627037) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide
PubChem CID135627037
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide
SMILESN/C(=N\N=C\C=C(c1ccccc1)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H19N3O/c23-22(19-11-13-20(26)14-12-19)25-24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,26H,(H2,23,25)/b24-16+
InChIKeyKQWZFLGNGMIVAZ-LFVJCYFKSA-N
XLogP4.22
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-ethylideneamino]benzenecarboximidamide
CID 23272286
N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide
CID 45048663
N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide
CID 70171441
4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
CID 22124141
4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide
CID 136656724
N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide
CID 129438137
4-(1-phenylpent-1-enyl)phenol
CID 57219514
N'-amino-4-hydroxybenzenecarboximidamide
CID 135693195
3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
CID 22835573
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
4-hydroxy-N'-methylbenzenecarboximidamide
CID 135965183
N'-(2,2-diphenylethenyl)-4-hydroxybenzohydrazide
CID 2355957

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide?
The IUPAC name of N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide (CID 135627037) is N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide is N/C(=N\N=C\C=C(c1ccccc1)c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide?
The InChIKey is KQWZFLGNGMIVAZ-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H19N3O/c23-22(19-11-13-20(26)14-12-19)25-24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,26H,(H2,23,25)/b24-16+.
What are the key properties of N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide?
N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide has a molecular weight of 341.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide is sourced from PubChem (CID 135627037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).