N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide

C21H18N6O2 — CID 11222906

IUPACN'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2cn3cc(-c4ccc(/C(N)=N\O)cc4)ccc3n2)cc1
InChIInChI=1S/C21H18N6O2/c22-20(25-28)15-5-1-13(2-6-15)17-9-10-19-24-18(12-27(19)11-17)14-3-7-16(8-4-14)21(23)26-29/h1-12,28-29H,(H2,22,25)(H2,23,26)
InChIKeyNIJYNSKAAMQRHN-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.86
Rot. Bonds4

About N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide

N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide (PubChem CID 11222906) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
PubChem CID11222906
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2cn3cc(-c4ccc(/C(N)=N\O)cc4)ccc3n2)cc1
InChIInChI=1S/C21H18N6O2/c22-20(25-28)15-5-1-13(2-6-15)17-9-10-19-24-18(12-27(19)11-17)14-3-7-16(8-4-14)21(23)26-29/h1-12,28-29H,(H2,22,25)(H2,23,26)
InChIKeyNIJYNSKAAMQRHN-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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide (CID 11222906) is N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide is N/C(=N\O)c1ccc(-c2cn3cc(-c4ccc(/C(N)=N\O)cc4)ccc3n2)cc1.
What is the InChIKey of N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide?
The InChIKey is NIJYNSKAAMQRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c22-20(25-28)15-5-1-13(2-6-15)17-9-10-19-24-18(12-27(19)11-17)14-3-7-16(8-4-14)21(23)26-29/h1-12,28-29H,(H2,22,25)(H2,23,26).
What are the key properties of N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide?
N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide 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-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide is sourced from PubChem (CID 11222906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).