N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide

C21H18N6O2 — CID 72762481

IUPACN'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide
SMILESNC(=NO)c1ccc(-c2ccc(-c3cn4cc(C(N)=NO)ccc4n3)cc2)cc1
InChIInChI=1S/C21H18N6O2/c22-20(25-28)16-7-3-14(4-8-16)13-1-5-15(6-2-13)18-12-27-11-17(21(23)26-29)9-10-19(27)24-18/h1-12,28-29H,(H2,22,25)(H2,23,26)
InChIKeySMXXOXWUDRKNFL-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.86
Rot. Bonds4

About N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide

N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide (PubChem CID 72762481) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide
PubChem CID72762481
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide
SMILESNC(=NO)c1ccc(-c2ccc(-c3cn4cc(C(N)=NO)ccc4n3)cc2)cc1
InChIInChI=1S/C21H18N6O2/c22-20(25-28)16-7-3-14(4-8-16)13-1-5-15(6-2-13)18-12-27-11-17(21(23)26-29)9-10-19(27)24-18/h1-12,28-29H,(H2,22,25)(H2,23,26)
InChIKeySMXXOXWUDRKNFL-UHFFFAOYSA-N
XLogP2.86
TPSA134.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
CID 11222906
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
acetic acid;4-[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
CID 69254410
N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride
CID 87754286
N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
CID 4071161
4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide
CID 16773762
4-(6-aminoimidazo[1,2-a]pyridin-2-yl)phenol
CID 821070
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
CID 3455990
N'-hydroxy-6-[4-[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]phenyl]pyridine-3-carboximidamide;hydrochloride
CID 135407885
ethane;4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenol
CID 143799480
[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 14155694
N-[5-[6-[4-(N'-hydroxycarbamimidoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 137069242

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide?
The IUPAC name of N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide (CID 72762481) is N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide is NC(=NO)c1ccc(-c2ccc(-c3cn4cc(C(N)=NO)ccc4n3)cc2)cc1.
What is the InChIKey of N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide?
The InChIKey is SMXXOXWUDRKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c22-20(25-28)16-7-3-14(4-8-16)13-1-5-15(6-2-13)18-12-27-11-17(21(23)26-29)9-10-19(27)24-18/h1-12,28-29H,(H2,22,25)(H2,23,26).
What are the key properties of N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide?
N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide has a molecular weight of 386.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide is sourced from PubChem (CID 72762481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).