4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide

C15H17N7 — CID 169205716

IUPAC4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/Nc2ccc(/C(N)=N/[H])c(C)c2)cc1
InChIInChI=1S/C15H17N7/c1-9-8-12(6-7-13(9)15(18)19)21-22-20-11-4-2-10(3-5-11)14(16)17/h2-8H,1H3,(H3,16,17)(H3,18,19)(H,20,21)
InChIKeyJFJDMWXXHDITDE-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.67
Rot. Bonds5

About 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide

4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide (PubChem CID 169205716) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide
PubChem CID169205716
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/Nc2ccc(/C(N)=N/[H])c(C)c2)cc1
InChIInChI=1S/C15H17N7/c1-9-8-12(6-7-13(9)15(18)19)21-22-20-11-4-2-10(3-5-11)14(16)17/h2-8H,1H3,(H3,16,17)(H3,18,19)(H,20,21)
InChIKeyJFJDMWXXHDITDE-UHFFFAOYSA-N
XLogP2.67
TPSA136.49 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;bis(piperidine);platinum(2+);dihydrochloride
CID 24901072
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;octadecanoic acid
CID 22056928
2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;phosphoric acid
CID 69304216
4-[[3-[2-(4-fluorophenyl)ethynyl]anilino]diazenyl]benzenecarboximidamide
CID 118687525
4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide
CID 71586518
4-[2-(3,4-dicarboxyphenyl)iminohydrazinyl]phthalic acid
CID 146651558
2-(4-carbamimidoylanilino)-2-(4-carbamimidoyl-2-methyl-5-propan-2-ylphenyl)acetic acid
CID 142650023
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide
CID 176870941
4-[2-[2-(2-phenylethynyl)phenyl]iminohydrazinyl]benzenecarboximidamide
CID 118687537
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
4-[[3-[[4-(N'-methylcarbamimidoyl)anilino]methyl]phenyl]methylamino]benzenecarboximidamide
CID 58652724

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide?
The IUPAC name of 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide (CID 169205716) is 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(/N=N/Nc2ccc(/C(N)=N/[H])c(C)c2)cc1.
What is the InChIKey of 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide?
The InChIKey is JFJDMWXXHDITDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-9-8-12(6-7-13(9)15(18)19)21-22-20-11-4-2-10(3-5-11)14(16)17/h2-8H,1H3,(H3,16,17)(H3,18,19)(H,20,21).
What are the key properties of 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide?
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide has a molecular weight of 295.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]-2-methylbenzenecarboximidamide is sourced from PubChem (CID 169205716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).