N'-anilino-N-phenyliminobenzenecarboximidamide

C19H16N4 — CID 5463277

IUPACN'-anilino-N-phenyliminobenzenecarboximidamide
SMILESc1ccc(/N=N/C(=N/Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16N4/c1-4-10-16(11-5-1)19(22-20-17-12-6-2-7-13-17)23-21-18-14-8-3-9-15-18/h1-15,20H/b22-19+,23-21+
InChIKeyBEIHVSJTPTXQGB-FACDVXMNSA-N
MW300.37 g/mol
LogP5.24
Rot. Bonds4

About N'-anilino-N-phenyliminobenzenecarboximidamide

N'-anilino-N-phenyliminobenzenecarboximidamide (PubChem CID 5463277) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is N'-anilino-N-phenyliminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-N-phenyliminobenzenecarboximidamide
PubChem CID5463277
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC NameN'-anilino-N-phenyliminobenzenecarboximidamide
SMILESc1ccc(/N=N/C(=N/Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16N4/c1-4-10-16(11-5-1)19(22-20-17-12-6-2-7-13-17)23-21-18-14-8-3-9-15-18/h1-15,20H/b22-19+,23-21+
InChIKeyBEIHVSJTPTXQGB-FACDVXMNSA-N
XLogP5.24
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.37
LogP ≤ 55.24
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'-anilino-N-phenyliminobenzenecarboximidamide?
The IUPAC name of N'-anilino-N-phenyliminobenzenecarboximidamide (CID 5463277) is N'-anilino-N-phenyliminobenzenecarboximidamide.
What is the SMILES notation for N'-anilino-N-phenyliminobenzenecarboximidamide?
The canonical SMILES for N'-anilino-N-phenyliminobenzenecarboximidamide is c1ccc(/N=N/C(=N/Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-anilino-N-phenyliminobenzenecarboximidamide?
The InChIKey is BEIHVSJTPTXQGB-FACDVXMNSA-N. The full InChI is InChI=1S/C19H16N4/c1-4-10-16(11-5-1)19(22-20-17-12-6-2-7-13-17)23-21-18-14-8-3-9-15-18/h1-15,20H/b22-19+,23-21+.
What are the key properties of N'-anilino-N-phenyliminobenzenecarboximidamide?
N'-anilino-N-phenyliminobenzenecarboximidamide has a molecular weight of 300.37 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-phenyliminobenzenecarboximidamide is sourced from PubChem (CID 5463277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).