4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide

C15H16N6 — CID 71586518

IUPAC4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=C/Nc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C15H16N6/c16-14(17)10-1-5-12(6-2-10)20-9-21-13-7-3-11(4-8-13)15(18)19/h1-9H,(H3,16,17)(H3,18,19)(H,20,21)
InChIKeyHBRPZEHBCIMEOT-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.03
Rot. Bonds5

About 4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide

4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide (PubChem CID 71586518) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide
PubChem CID71586518
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=C/Nc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C15H16N6/c16-14(17)10-1-5-12(6-2-10)20-9-21-13-7-3-11(4-8-13)15(18)19/h1-9H,(H3,16,17)(H3,18,19)(H,20,21)
InChIKeyHBRPZEHBCIMEOT-UHFFFAOYSA-N
XLogP2.03
TPSA124.13 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.03
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'}

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Related Compounds

4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)
CID 50933370
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide
CID 169205716
4-[7-(4-carbamimidoylanilino)heptylamino]benzenecarboximidamide
CID 122182389
4-(sulfamoylamino)benzenecarboximidamide
CID 114959670
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
N,N'-bis(4-carbamimidoylphenyl)dodecanediamide
CID 46883527
N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
CID 15954191
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;bis(piperidine);platinum(2+);dihydrochloride
CID 24901072
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;octadecanoic acid
CID 22056928
4-(cyclohexylamino)benzenecarboximidamide
CID 54550444

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide?
The IUPAC name of 4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide (CID 71586518) is 4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide?
The canonical SMILES for 4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(/N=C/Nc2ccc(/C(N)=N/[H])cc2)cc1.
What is the InChIKey of 4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide?
The InChIKey is HBRPZEHBCIMEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-14(17)10-1-5-12(6-2-10)20-9-21-13-7-3-11(4-8-13)15(18)19/h1-9H,(H3,16,17)(H3,18,19)(H,20,21).
What are the key properties of 4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide?
4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide has a molecular weight of 280.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide is sourced from PubChem (CID 71586518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).