4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide

C16H16N4 — CID 5351747

IUPAC4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/C=C/c2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)/b2-1+
InChIKeyMMURVNDSFNJHAM-OWOJBTEDSA-N
MW264.33 g/mol
LogP2.43
Rot. Bonds4

About 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide

4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide (PubChem CID 5351747) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
PubChem CID5351747
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/C=C/c2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)/b2-1+
InChIKeyMMURVNDSFNJHAM-OWOJBTEDSA-N
XLogP2.43
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide?
The IUPAC name of 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide (CID 5351747) is 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide?
The canonical SMILES for 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(/C=C/c2ccc(/C(N)=N/[H])cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide?
The InChIKey is MMURVNDSFNJHAM-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)/b2-1+.
What are the key properties of 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide?
4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide has a molecular weight of 264.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide is sourced from PubChem (CID 5351747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).