(3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine

C19H19NO — CID 71507928

IUPAC(3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine
SMILESCC(C)(C)/N=C1\O/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO/c1-19(2,3)20-18-16-12-8-7-11-15(16)17(21-18)13-14-9-5-4-6-10-14/h4-13H,1-3H3/b17-13-,20-18-
InChIKeyJBPDFZVYTSUICY-FYMNCQBHSA-N
MW277.37 g/mol
LogP4.76
Rot. Bonds1

About (3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine

(3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine (PubChem CID 71507928) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine.

Molecular Properties

Compound Name(3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine
PubChem CID71507928
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine
SMILESCC(C)(C)/N=C1\O/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO/c1-19(2,3)20-18-16-12-8-7-11-15(16)17(21-18)13-14-9-5-4-6-10-14/h4-13H,1-3H3/b17-13-,20-18-
InChIKeyJBPDFZVYTSUICY-FYMNCQBHSA-N
XLogP4.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine?
The IUPAC name of (3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine (CID 71507928) is (3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine.
What is the SMILES notation for (3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine?
The canonical SMILES for (3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine is CC(C)(C)/N=C1\O/C(=C\c2ccccc2)c2ccccc21.
What is the InChIKey of (3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine?
The InChIKey is JBPDFZVYTSUICY-FYMNCQBHSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(2,3)20-18-16-12-8-7-11-15(16)17(21-18)13-14-9-5-4-6-10-14/h4-13H,1-3H3/b17-13-,20-18-.
What are the key properties of (3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine?
(3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine has a molecular weight of 277.37 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-N-tert-butyl-2-benzofuran-1-imine is sourced from PubChem (CID 71507928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).