N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide

C19H15IN4 — CID 171377884

IUPACN'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide
SMILESIc1ccc(C(/N=N/c2ccccc2)=N\Nc2ccccc2)cc1
InChIInChI=1S/C19H15IN4/c20-16-13-11-15(12-14-16)19(23-21-17-7-3-1-4-8-17)24-22-18-9-5-2-6-10-18/h1-14,21H/b23-19+,24-22+
InChIKeyOZBARXRDPZIMPY-MTCNYLKESA-N
MW426.26 g/mol
LogP5.85
Rot. Bonds4

About N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide

N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide (PubChem CID 171377884) has the molecular formula C19H15IN4 and a molecular weight of 426.26 g/mol. Its IUPAC name is N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide
PubChem CID171377884
Molecular FormulaC19H15IN4
Molecular Weight426.26 g/mol
Exact Mass426.03
IUPAC NameN'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide
SMILESIc1ccc(C(/N=N/c2ccccc2)=N\Nc2ccccc2)cc1
InChIInChI=1S/C19H15IN4/c20-16-13-11-15(12-14-16)19(23-21-17-7-3-1-4-8-17)24-22-18-9-5-2-6-10-18/h1-14,21H/b23-19+,24-22+
InChIKeyOZBARXRDPZIMPY-MTCNYLKESA-N
XLogP5.85
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.26
LogP ≤ 55.85
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide?
The IUPAC name of N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide (CID 171377884) is N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide.
What is the SMILES notation for N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide?
The canonical SMILES for N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide is Ic1ccc(C(/N=N/c2ccccc2)=N\Nc2ccccc2)cc1.
What is the InChIKey of N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide?
The InChIKey is OZBARXRDPZIMPY-MTCNYLKESA-N. The full InChI is InChI=1S/C19H15IN4/c20-16-13-11-15(12-14-16)19(23-21-17-7-3-1-4-8-17)24-22-18-9-5-2-6-10-18/h1-14,21H/b23-19+,24-22+.
What are the key properties of N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide?
N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide has a molecular weight of 426.26 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide is sourced from PubChem (CID 171377884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).