N-anilino-N'-benzylbenzenecarboximidamide

C20H19N3 — CID 13498116

IUPACN-anilino-N'-benzylbenzenecarboximidamide
SMILESc1ccc(C/N=C(\NNc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)23-22-19-14-8-3-9-15-19/h1-15,22H,16H2,(H,21,23)
InChIKeyAERMLBOANSQCPP-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.25
Rot. Bonds5

About N-anilino-N'-benzylbenzenecarboximidamide

N-anilino-N'-benzylbenzenecarboximidamide (PubChem CID 13498116) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-anilino-N'-benzylbenzenecarboximidamide.

Molecular Properties

Compound NameN-anilino-N'-benzylbenzenecarboximidamide
PubChem CID13498116
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC NameN-anilino-N'-benzylbenzenecarboximidamide
SMILESc1ccc(C/N=C(\NNc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)23-22-19-14-8-3-9-15-19/h1-15,22H,16H2,(H,21,23)
InChIKeyAERMLBOANSQCPP-UHFFFAOYSA-N
XLogP4.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-benzylbenzenecarboximidamide?
The IUPAC name of N-anilino-N'-benzylbenzenecarboximidamide (CID 13498116) is N-anilino-N'-benzylbenzenecarboximidamide.
What is the SMILES notation for N-anilino-N'-benzylbenzenecarboximidamide?
The canonical SMILES for N-anilino-N'-benzylbenzenecarboximidamide is c1ccc(C/N=C(\NNc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-anilino-N'-benzylbenzenecarboximidamide?
The InChIKey is AERMLBOANSQCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)23-22-19-14-8-3-9-15-19/h1-15,22H,16H2,(H,21,23).
What are the key properties of N-anilino-N'-benzylbenzenecarboximidamide?
N-anilino-N'-benzylbenzenecarboximidamide has a molecular weight of 301.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilino-N'-benzylbenzenecarboximidamide is sourced from PubChem (CID 13498116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).