4-[(3-phenylanilino)diazenyl]benzenecarboximidamide

C19H17N5 — CID 118687624

IUPAC4-[(3-phenylanilino)diazenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/Nc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H17N5/c20-19(21)15-9-11-17(12-10-15)22-24-23-18-8-4-7-16(13-18)14-5-2-1-3-6-14/h1-13H,(H3,20,21)(H,22,23)
InChIKeyHQOYVIXMAKTZLM-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.75
Rot. Bonds5

About 4-[(3-phenylanilino)diazenyl]benzenecarboximidamide

4-[(3-phenylanilino)diazenyl]benzenecarboximidamide (PubChem CID 118687624) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[(3-phenylanilino)diazenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-phenylanilino)diazenyl]benzenecarboximidamide
PubChem CID118687624
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-[(3-phenylanilino)diazenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/Nc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H17N5/c20-19(21)15-9-11-17(12-10-15)22-24-23-18-8-4-7-16(13-18)14-5-2-1-3-6-14/h1-13H,(H3,20,21)(H,22,23)
InChIKeyHQOYVIXMAKTZLM-UHFFFAOYSA-N
XLogP4.75
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Diminazene
CID 2354
Benzophenone phenylhydrazone
CID 68456
1,3,5-Triphenylformazan
CID 5463277
2,3,5-Triphenyltetrazole
CID 506591
Benzalacetophenone phenylhydrazone
CID 5716958
Triphenylformazan
CID 5464164
4-[3-Amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride
CID 90665224
4-[[3-[2-(4-Fluorophenyl)ethynyl]anilino]diazenyl]benzenecarboximidamide
CID 118687525
4-[2-(2-Ethynylphenyl)iminohydrazinyl]benzenecarboximidamide
CID 118687529
4-[(3-Ethynylanilino)diazenyl]benzenecarboximidamide
CID 118687533
4-[[3-(2-Phenylethynyl)anilino]diazenyl]benzenecarboximidamide
CID 118687534
4-[2-[2-(2-Phenylethynyl)phenyl]iminohydrazinyl]benzenecarboximidamide
CID 118687537

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenylanilino)diazenyl]benzenecarboximidamide?
The IUPAC name of 4-[(3-phenylanilino)diazenyl]benzenecarboximidamide (CID 118687624) is 4-[(3-phenylanilino)diazenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(3-phenylanilino)diazenyl]benzenecarboximidamide?
The canonical SMILES for 4-[(3-phenylanilino)diazenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(/N=N/Nc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[(3-phenylanilino)diazenyl]benzenecarboximidamide?
The InChIKey is HQOYVIXMAKTZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-19(21)15-9-11-17(12-10-15)22-24-23-18-8-4-7-16(13-18)14-5-2-1-3-6-14/h1-13H,(H3,20,21)(H,22,23).
What are the key properties of 4-[(3-phenylanilino)diazenyl]benzenecarboximidamide?
4-[(3-phenylanilino)diazenyl]benzenecarboximidamide has a molecular weight of 315.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenylanilino)diazenyl]benzenecarboximidamide is sourced from PubChem (CID 118687624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).