N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide

C20H18N4 — CID 3837287

IUPACN'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide
SMILESCc1ccc(C(=NNc2ccccc2)/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H18N4/c1-16-12-14-17(15-13-16)20(23-21-18-8-4-2-5-9-18)24-22-19-10-6-3-7-11-19/h2-15,21H,1H3/b23-20?,24-22+
InChIKeyFEYZMOAOMKSFOX-LUWDILHYSA-N
MW314.39 g/mol
LogP5.55
Rot. Bonds4

About N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide

N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide (PubChem CID 3837287) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide
PubChem CID3837287
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide
SMILESCc1ccc(C(=NNc2ccccc2)/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H18N4/c1-16-12-14-17(15-13-16)20(23-21-18-8-4-2-5-9-18)24-22-19-10-6-3-7-11-19/h2-15,21H,1H3/b23-20?,24-22+
InChIKeyFEYZMOAOMKSFOX-LUWDILHYSA-N
XLogP5.55
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.55
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-4-methyl-N-phenyliminobenzenecarboximidamide?
The IUPAC name of N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide (CID 3837287) is N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide.
What is the SMILES notation for N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide?
The canonical SMILES for N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide is Cc1ccc(C(=NNc2ccccc2)/N=N/c2ccccc2)cc1.
What is the InChIKey of N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide?
The InChIKey is FEYZMOAOMKSFOX-LUWDILHYSA-N. The full InChI is InChI=1S/C20H18N4/c1-16-12-14-17(15-13-16)20(23-21-18-8-4-2-5-9-18)24-22-19-10-6-3-7-11-19/h2-15,21H,1H3/b23-20?,24-22+.
What are the key properties of N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide?
N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide has a molecular weight of 314.39 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide is sourced from PubChem (CID 3837287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).