N-imino-N'-(N-phenylanilino)benzenecarboximidamide

C19H16N4 — CID 53400513

IUPACN-imino-N'-(N-phenylanilino)benzenecarboximidamide
SMILES[H]/N=N/C(=NN(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N4/c20-21-19(16-10-4-1-5-11-16)22-23(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H/b21-20+,22-19?
InChIKeyIUJAKVDAVKXDQV-JMQTWNPZSA-N
MW300.37 g/mol
LogP5.22
Rot. Bonds4

About N-imino-N'-(N-phenylanilino)benzenecarboximidamide

N-imino-N'-(N-phenylanilino)benzenecarboximidamide (PubChem CID 53400513) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-imino-N'-(N-phenylanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN-imino-N'-(N-phenylanilino)benzenecarboximidamide
PubChem CID53400513
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC NameN-imino-N'-(N-phenylanilino)benzenecarboximidamide
SMILES[H]/N=N/C(=NN(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N4/c20-21-19(16-10-4-1-5-11-16)22-23(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H/b21-20+,22-19?
InChIKeyIUJAKVDAVKXDQV-JMQTWNPZSA-N
XLogP5.22
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.37
LogP ≤ 55.22
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-imino-N'-(N-phenylanilino)benzenecarboximidamide?
The IUPAC name of N-imino-N'-(N-phenylanilino)benzenecarboximidamide (CID 53400513) is N-imino-N'-(N-phenylanilino)benzenecarboximidamide.
What is the SMILES notation for N-imino-N'-(N-phenylanilino)benzenecarboximidamide?
The canonical SMILES for N-imino-N'-(N-phenylanilino)benzenecarboximidamide is [H]/N=N/C(=NN(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-imino-N'-(N-phenylanilino)benzenecarboximidamide?
The InChIKey is IUJAKVDAVKXDQV-JMQTWNPZSA-N. The full InChI is InChI=1S/C19H16N4/c20-21-19(16-10-4-1-5-11-16)22-23(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H/b21-20+,22-19?.
What are the key properties of N-imino-N'-(N-phenylanilino)benzenecarboximidamide?
N-imino-N'-(N-phenylanilino)benzenecarboximidamide has a molecular weight of 300.37 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-N'-(N-phenylanilino)benzenecarboximidamide is sourced from PubChem (CID 53400513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).