N-benzyl-1,1-di(selenophen-2-yl)methanimine

C16H13NSe2 — CID 132543807

IUPACN-benzyl-1,1-di(selenophen-2-yl)methanimine
SMILESc1ccc(CN=C(c2ccc[se]2)c2ccc[se]2)cc1
InChIInChI=1S/C16H13NSe2/c1-2-6-13(7-3-1)12-17-16(14-8-4-10-18-14)15-9-5-11-19-15/h1-11H,12H2
InChIKeyMZZKKNNOTMHNGH-UHFFFAOYSA-N
MW377.21 g/mol
LogP2.84
Rot. Bonds4

About N-benzyl-1,1-di(selenophen-2-yl)methanimine

N-benzyl-1,1-di(selenophen-2-yl)methanimine (PubChem CID 132543807) has the molecular formula C16H13NSe2 and a molecular weight of 377.21 g/mol. Its IUPAC name is N-benzyl-1,1-di(selenophen-2-yl)methanimine.

Molecular Properties

Compound NameN-benzyl-1,1-di(selenophen-2-yl)methanimine
PubChem CID132543807
Molecular FormulaC16H13NSe2
Molecular Weight377.21 g/mol
Exact Mass378.94
IUPAC NameN-benzyl-1,1-di(selenophen-2-yl)methanimine
SMILESc1ccc(CN=C(c2ccc[se]2)c2ccc[se]2)cc1
InChIInChI=1S/C16H13NSe2/c1-2-6-13(7-3-1)12-17-16(14-8-4-10-18-14)15-9-5-11-19-15/h1-11H,12H2
InChIKeyMZZKKNNOTMHNGH-UHFFFAOYSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-benzylpropanimidamide
CID 45122449
N'-benzyl-2-hydroxyethanimidamide
CID 90668671
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
methyl 4-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]benzoate
CID 46193381
N'-benzyl-N,N-dimethylethanimidamide
CID 525276
CID 13440858
CID 13440858
N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
CID 20701710
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033
N-benzyl-1-phenylpentan-1-imine
CID 20688068
3-benzyliminobutanoic acid
CID 23175618
2-benzyl-1-phenylguanidine
CID 12910062
2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 130557075

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1-di(selenophen-2-yl)methanimine?
The IUPAC name of N-benzyl-1,1-di(selenophen-2-yl)methanimine (CID 132543807) is N-benzyl-1,1-di(selenophen-2-yl)methanimine.
What is the SMILES notation for N-benzyl-1,1-di(selenophen-2-yl)methanimine?
The canonical SMILES for N-benzyl-1,1-di(selenophen-2-yl)methanimine is c1ccc(CN=C(c2ccc[se]2)c2ccc[se]2)cc1.
What is the InChIKey of N-benzyl-1,1-di(selenophen-2-yl)methanimine?
The InChIKey is MZZKKNNOTMHNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NSe2/c1-2-6-13(7-3-1)12-17-16(14-8-4-10-18-14)15-9-5-11-19-15/h1-11H,12H2.
What are the key properties of N-benzyl-1,1-di(selenophen-2-yl)methanimine?
N-benzyl-1,1-di(selenophen-2-yl)methanimine has a molecular weight of 377.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1-di(selenophen-2-yl)methanimine is sourced from PubChem (CID 132543807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).