N'-benzyl-4-phenylbenzenecarboximidamide

C20H18N2 — CID 20706471

IUPACN'-benzyl-4-phenylbenzenecarboximidamide
SMILESN/C(=N\Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2/c21-20(22-15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2,(H2,21,22)
InChIKeyIWQQSOFHNNNAAB-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.26
Rot. Bonds4

About N'-benzyl-4-phenylbenzenecarboximidamide

N'-benzyl-4-phenylbenzenecarboximidamide (PubChem CID 20706471) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-benzyl-4-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-4-phenylbenzenecarboximidamide
PubChem CID20706471
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC NameN'-benzyl-4-phenylbenzenecarboximidamide
SMILESN/C(=N\Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2/c21-20(22-15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2,(H2,21,22)
InChIKeyIWQQSOFHNNNAAB-UHFFFAOYSA-N
XLogP4.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.26
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'-benzyl-4-phenylbenzenecarboximidamide?
The IUPAC name of N'-benzyl-4-phenylbenzenecarboximidamide (CID 20706471) is N'-benzyl-4-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-4-phenylbenzenecarboximidamide?
The canonical SMILES for N'-benzyl-4-phenylbenzenecarboximidamide is N/C(=N\Cc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-benzyl-4-phenylbenzenecarboximidamide?
The InChIKey is IWQQSOFHNNNAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c21-20(22-15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2,(H2,21,22).
What are the key properties of N'-benzyl-4-phenylbenzenecarboximidamide?
N'-benzyl-4-phenylbenzenecarboximidamide has a molecular weight of 286.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-4-phenylbenzenecarboximidamide is sourced from PubChem (CID 20706471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).