4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide

C11H11N5O — CID 136647870

IUPAC4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide
SMILESNC(=NN=Cc1cnc[nH]1)c1ccc(O)cc1
InChIInChI=1S/C11H11N5O/c12-11(8-1-3-10(17)4-2-8)16-15-6-9-5-13-7-14-9/h1-7,17H,(H2,12,16)(H,13,14)
InChIKeyFCHWXOUASMVABM-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.85
Rot. Bonds3

About 4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide

4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide (PubChem CID 136647870) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide
PubChem CID136647870
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide
SMILESNC(=NN=Cc1cnc[nH]1)c1ccc(O)cc1
InChIInChI=1S/C11H11N5O/c12-11(8-1-3-10(17)4-2-8)16-15-6-9-5-13-7-14-9/h1-7,17H,(H2,12,16)(H,13,14)
InChIKeyFCHWXOUASMVABM-UHFFFAOYSA-N
XLogP0.85
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(NE)-N-(1H-imidazol-5-ylmethylidene)hydroxylamine
CID 135591025
1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine
CID 137270215
4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide
CID 136656724
N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide
CID 135627037
N'-hydroxy-4-(1H-imidazol-5-yl)benzenecarboximidamide
CID 90886775
N'-amino-4-hydroxybenzenecarboximidamide
CID 135693195
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide
CID 135853148
4-hydroxy-N'-methylbenzenecarboximidamide
CID 135965183
3-[(E)-1H-imidazol-5-ylmethylideneamino]-1,1-dimethylurea
CID 137262438
N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
CID 170856108
tris(2-hydroxy-2-(4-hydroxyphenyl)acetate);tris(3-(1H-imidazol-5-yl)prop-2-enoate);molybdenum
CID 173064203
4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 2841390

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide?
The IUPAC name of 4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide (CID 136647870) is 4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide.
What is the SMILES notation for 4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide?
The canonical SMILES for 4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide is NC(=NN=Cc1cnc[nH]1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide?
The InChIKey is FCHWXOUASMVABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-11(8-1-3-10(17)4-2-8)16-15-6-9-5-13-7-14-9/h1-7,17H,(H2,12,16)(H,13,14).
What are the key properties of 4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide?
4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide has a molecular weight of 229.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-(1H-imidazol-5-ylmethylideneamino)benzenecarboximidamide is sourced from PubChem (CID 136647870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).