methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate

C18H16N2O3Se — CID 46193256

IUPACmethyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(/C(=N\NCc2ccccc2)c2ccc[se]2)o1
InChIInChI=1S/C18H16N2O3Se/c1-22-18(21)15-10-9-14(23-15)17(16-8-5-11-24-16)20-19-12-13-6-3-2-4-7-13/h2-11,19H,12H2,1H3/b20-17+
InChIKeyOSGZWHZLIVIWRP-LVZFUZTISA-N
MW387.30 g/mol
LogP2.67
Rot. Bonds6

About methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate

methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate (PubChem CID 46193256) has the molecular formula C18H16N2O3Se and a molecular weight of 387.30 g/mol. Its IUPAC name is methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate
PubChem CID46193256
Molecular FormulaC18H16N2O3Se
Molecular Weight387.30 g/mol
Exact Mass388.03
IUPAC Namemethyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(/C(=N\NCc2ccccc2)c2ccc[se]2)o1
InChIInChI=1S/C18H16N2O3Se/c1-22-18(21)15-10-9-14(23-15)17(16-8-5-11-24-16)20-19-12-13-6-3-2-4-7-13/h2-11,19H,12H2,1H3/b20-17+
InChIKeyOSGZWHZLIVIWRP-LVZFUZTISA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[N-(benzylamino)-C-phenylcarbonimidoyl]furan-2-carboxylate
CID 73111904
methyl 4-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]benzoate
CID 46193381
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
N-benzyl-1,1-di(selenophen-2-yl)methanimine
CID 132543807
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate
CID 72983472
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 5-(benzylsulfonylmethyl)furan-2-carboxylate
CID 127244389
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
methyl 4-[[[N'-benzyl-N-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]methyl]benzoate
CID 111162427
methyl 4-[[[N'-benzyl-N-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]methyl]benzoate;hydroiodide
CID 111162426

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate (CID 46193256) is methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate is COC(=O)c1ccc(/C(=N\NCc2ccccc2)c2ccc[se]2)o1.
What is the InChIKey of methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate?
The InChIKey is OSGZWHZLIVIWRP-LVZFUZTISA-N. The full InChI is InChI=1S/C18H16N2O3Se/c1-22-18(21)15-10-9-14(23-15)17(16-8-5-11-24-16)20-19-12-13-6-3-2-4-7-13/h2-11,19H,12H2,1H3/b20-17+.
What are the key properties of methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate?
methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate has a molecular weight of 387.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(E)-N-(benzylamino)-C-selenophen-2-ylcarbonimidoyl]furan-2-carboxylate is sourced from PubChem (CID 46193256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).