4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide

C16H16N4O — CID 135923501

IUPAC4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/[H])cc2O)cc1
InChIInChI=1S/C16H16N4O/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21/h1-9,21H,(H3,17,18)(H3,19,20)/b4-1-
InChIKeyTUESWZZJYCLFNL-RJRFIUFISA-N
MW280.33 g/mol
LogP2.13
Rot. Bonds4

About 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide

4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide (PubChem CID 135923501) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
PubChem CID135923501
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/[H])cc2O)cc1
InChIInChI=1S/C16H16N4O/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21/h1-9,21H,(H3,17,18)(H3,19,20)/b4-1-
InChIKeyTUESWZZJYCLFNL-RJRFIUFISA-N
XLogP2.13
TPSA119.97 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
CID 24846143
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride
CID 24846159
4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide
CID 142087834
4-hydroxy-3-prop-1-enylbenzenecarboximidamide
CID 141032250
4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)
CID 6433163
4-(3-chloroprop-1-enyl)benzenecarboximidamide
CID 169477282
3-(4-carbamimidoylphenyl)prop-2-enoic acid
CID 54071755
3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
CID 141318088
2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide
CID 6435280
2-[(1E,3E,5E)-6-(4-carbamimidoylphenyl)hexa-1,3,5-trienyl]-1-benzofuran-5-carboximidamide
CID 6435281
fluorogold;2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide
CID 160906620
2,1,3-benzoxadiazole-5-carboximidamide
CID 140791723

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide (CID 135923501) is 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/[H])cc2O)cc1.
What is the InChIKey of 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide?
The InChIKey is TUESWZZJYCLFNL-RJRFIUFISA-N. The full InChI is InChI=1S/C16H16N4O/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21/h1-9,21H,(H3,17,18)(H3,19,20)/b4-1-.
What are the key properties of 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide?
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide has a molecular weight of 280.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide is sourced from PubChem (CID 135923501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).