N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide

C19H17N5 — CID 68503264

IUPACN-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide
SMILESNc1ccccc1/N=N/C(=NNc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N5/c20-17-13-7-8-14-18(17)22-24-19(15-9-3-1-4-10-15)23-21-16-11-5-2-6-12-16/h1-14,21H,20H2/b23-19?,24-22+
InChIKeyAYPYBLYDLHQDSA-KSQZLRTGSA-N
MW315.38 g/mol
LogP4.83
Rot. Bonds4

About N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide

N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide (PubChem CID 68503264) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide.

Molecular Properties

Compound NameN-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide
PubChem CID68503264
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC NameN-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide
SMILESNc1ccccc1/N=N/C(=NNc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N5/c20-17-13-7-8-14-18(17)22-24-19(15-9-3-1-4-10-15)23-21-16-11-5-2-6-12-16/h1-14,21H,20H2/b23-19?,24-22+
InChIKeyAYPYBLYDLHQDSA-KSQZLRTGSA-N
XLogP4.83
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide?
The IUPAC name of N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide (CID 68503264) is N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide.
What is the SMILES notation for N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide?
The canonical SMILES for N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide is Nc1ccccc1/N=N/C(=NNc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide?
The InChIKey is AYPYBLYDLHQDSA-KSQZLRTGSA-N. The full InChI is InChI=1S/C19H17N5/c20-17-13-7-8-14-18(17)22-24-19(15-9-3-1-4-10-15)23-21-16-11-5-2-6-12-16/h1-14,21H,20H2/b23-19?,24-22+.
What are the key properties of N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide?
N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide has a molecular weight of 315.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)imino-N'-anilinobenzenecarboximidamide is sourced from PubChem (CID 68503264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).