N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide

C20H18N4O2 — CID 135407879

IUPACN'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)cc1
InChIInChI=1S/C20H18N4O2/c21-19(23-25)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(22)24-26/h1-12,25-26H,(H2,21,23)(H2,22,24)
InChIKeyQGEAKPAOMBXELO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.21
Rot. Bonds4

About N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide

N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide (PubChem CID 135407879) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
PubChem CID135407879
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)cc1
InChIInChI=1S/C20H18N4O2/c21-19(23-25)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(22)24-26/h1-12,25-26H,(H2,21,23)(H2,22,24)
InChIKeyQGEAKPAOMBXELO-UHFFFAOYSA-N
XLogP3.21
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
CID 4071161
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 71745689
N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide
CID 140559080
N'-hydroxybenzenecarboximidamide
CID 142861747
4-[3-fluoro-4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-N'-hydroxybenzenecarboximidamide;hydrochloride
CID 135407882
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl chloride
CID 165349208
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide
CID 16773762
N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide
CID 90886775
N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
CID 11222906
N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide
CID 72762481

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide (CID 135407879) is N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide is N/C(=N/O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)cc1.
What is the InChIKey of N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide?
The InChIKey is QGEAKPAOMBXELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-19(23-25)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(22)24-26/h1-12,25-26H,(H2,21,23)(H2,22,24).
What are the key properties of N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide?
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide has a molecular weight of 346.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide is sourced from PubChem (CID 135407879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).