N'-benzylnaphthalene-2-carboximidamide

C18H16N2 — CID 20706473

IUPACN'-benzylnaphthalene-2-carboximidamide
SMILESN/C(=N\Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H16N2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2,(H2,19,20)
InChIKeyUOGUAODRHCJVGQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.75
Rot. Bonds3

About N'-benzylnaphthalene-2-carboximidamide

N'-benzylnaphthalene-2-carboximidamide (PubChem CID 20706473) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-benzylnaphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-benzylnaphthalene-2-carboximidamide
PubChem CID20706473
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC NameN'-benzylnaphthalene-2-carboximidamide
SMILESN/C(=N\Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H16N2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2,(H2,19,20)
InChIKeyUOGUAODRHCJVGQ-UHFFFAOYSA-N
XLogP3.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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'-benzylnaphthalene-2-carboximidamide?
The IUPAC name of N'-benzylnaphthalene-2-carboximidamide (CID 20706473) is N'-benzylnaphthalene-2-carboximidamide.
What is the SMILES notation for N'-benzylnaphthalene-2-carboximidamide?
The canonical SMILES for N'-benzylnaphthalene-2-carboximidamide is N/C(=N\Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N'-benzylnaphthalene-2-carboximidamide?
The InChIKey is UOGUAODRHCJVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2,(H2,19,20).
What are the key properties of N'-benzylnaphthalene-2-carboximidamide?
N'-benzylnaphthalene-2-carboximidamide has a molecular weight of 260.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylnaphthalene-2-carboximidamide is sourced from PubChem (CID 20706473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).