2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine

C20H20N4 — CID 44533049

IUPAC2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine
SMILESN/C(=N\Cc1ccccc1)Nc1cccc(Cc2ccccc2)n1
InChIInChI=1S/C20H20N4/c21-20(22-15-17-10-5-2-6-11-17)24-19-13-7-12-18(23-19)14-16-8-3-1-4-9-16/h1-13H,14-15H2,(H3,21,22,23,24)
InChIKeyYDFYEQKMDLIXDR-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.60
Rot. Bonds5

About 2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine

2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine (PubChem CID 44533049) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine
PubChem CID44533049
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine
SMILESN/C(=N\Cc1ccccc1)Nc1cccc(Cc2ccccc2)n1
InChIInChI=1S/C20H20N4/c21-20(22-15-17-10-5-2-6-11-17)24-19-13-7-12-18(23-19)14-16-8-3-1-4-9-16/h1-13H,14-15H2,(H3,21,22,23,24)
InChIKeyYDFYEQKMDLIXDR-UHFFFAOYSA-N
XLogP3.60
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine?
The IUPAC name of 2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine (CID 44533049) is 2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine.
What is the SMILES notation for 2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine?
The canonical SMILES for 2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine is N/C(=N\Cc1ccccc1)Nc1cccc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine?
The InChIKey is YDFYEQKMDLIXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c21-20(22-15-17-10-5-2-6-11-17)24-19-13-7-12-18(23-19)14-16-8-3-1-4-9-16/h1-13H,14-15H2,(H3,21,22,23,24).
What are the key properties of 2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine?
2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine has a molecular weight of 316.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(6-benzyl-2-pyridinyl)guanidine is sourced from PubChem (CID 44533049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).