4-(4-benzylphenyl)-1,3-selenazol-2-amine

C16H14N2Se — CID 163349486

IUPAC4-(4-benzylphenyl)-1,3-selenazol-2-amine
SMILESNc1nc(-c2ccc(Cc3ccccc3)cc2)c[se]1
InChIInChI=1S/C16H14N2Se/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
InChIKeyTVNNGQGXOFXDAF-UHFFFAOYSA-N
MW313.26 g/mol
LogP2.98
Rot. Bonds3

About 4-(4-benzylphenyl)-1,3-selenazol-2-amine

4-(4-benzylphenyl)-1,3-selenazol-2-amine (PubChem CID 163349486) has the molecular formula C16H14N2Se and a molecular weight of 313.26 g/mol. Its IUPAC name is 4-(4-benzylphenyl)-1,3-selenazol-2-amine.

Molecular Properties

Compound Name4-(4-benzylphenyl)-1,3-selenazol-2-amine
PubChem CID163349486
Molecular FormulaC16H14N2Se
Molecular Weight313.26 g/mol
Exact Mass314.03
IUPAC Name4-(4-benzylphenyl)-1,3-selenazol-2-amine
SMILESNc1nc(-c2ccc(Cc3ccccc3)cc2)c[se]1
InChIInChI=1S/C16H14N2Se/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
InChIKeyTVNNGQGXOFXDAF-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphenyl)-1,3-selenazol-2-amine?
The IUPAC name of 4-(4-benzylphenyl)-1,3-selenazol-2-amine (CID 163349486) is 4-(4-benzylphenyl)-1,3-selenazol-2-amine.
What is the SMILES notation for 4-(4-benzylphenyl)-1,3-selenazol-2-amine?
The canonical SMILES for 4-(4-benzylphenyl)-1,3-selenazol-2-amine is Nc1nc(-c2ccc(Cc3ccccc3)cc2)c[se]1.
What is the InChIKey of 4-(4-benzylphenyl)-1,3-selenazol-2-amine?
The InChIKey is TVNNGQGXOFXDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2Se/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18).
What are the key properties of 4-(4-benzylphenyl)-1,3-selenazol-2-amine?
4-(4-benzylphenyl)-1,3-selenazol-2-amine has a molecular weight of 313.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphenyl)-1,3-selenazol-2-amine is sourced from PubChem (CID 163349486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).