N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide

C18H16N4O2Se — CID 140559080

IUPACN'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)[se]2)cc1
InChIInChI=1S/C18H16N4O2Se/c19-17(21-23)13-5-1-11(2-6-13)15-9-10-16(25-15)12-3-7-14(8-4-12)18(20)22-24/h1-10,23-24H,(H2,19,21)(H2,20,22)
InChIKeyZWBLJKYMOIEZTB-UHFFFAOYSA-N
MW399.31 g/mol
LogP2.27
Rot. Bonds4

About N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide

N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide (PubChem CID 140559080) has the molecular formula C18H16N4O2Se and a molecular weight of 399.31 g/mol. Its IUPAC name is N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide
PubChem CID140559080
Molecular FormulaC18H16N4O2Se
Molecular Weight399.31 g/mol
Exact Mass400.04
IUPAC NameN'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)[se]2)cc1
InChIInChI=1S/C18H16N4O2Se/c19-17(21-23)13-5-1-11(2-6-13)15-9-10-16(25-15)12-3-7-14(8-4-12)18(20)22-24/h1-10,23-24H,(H2,19,21)(H2,20,22)
InChIKeyZWBLJKYMOIEZTB-UHFFFAOYSA-N
XLogP2.27
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
CID 4071161
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 71745689
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide
CID 90886775
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl chloride
CID 165349208
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide
CID 143794129
4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide
CID 16773762
4-[3-fluoro-4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-N'-hydroxybenzenecarboximidamide;hydrochloride
CID 135407882
N'-hydroxy-6-[4-[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]phenyl]pyridine-3-carboximidamide;hydrochloride
CID 135407885

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide (CID 140559080) is N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide is N/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)[se]2)cc1.
What is the InChIKey of N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide?
The InChIKey is ZWBLJKYMOIEZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2Se/c19-17(21-23)13-5-1-11(2-6-13)15-9-10-16(25-15)12-3-7-14(8-4-12)18(20)22-24/h1-10,23-24H,(H2,19,21)(H2,20,22).
What are the key properties of N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide?
N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide has a molecular weight of 399.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide is sourced from PubChem (CID 140559080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).