copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)

C36H26CuN8O4 — CID 139241785

IUPACcopper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)
SMILESC/C(=N\NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[n-]1.C/C(=N\NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[n-]1.[Cu+2]
InChIInChI=1S/2C18H14N4O2.Cu/c2*1-11(17-19-13-7-3-4-8-14(13)20-17)21-22-18(23)16-10-12-6-2-5-9-15(12)24-16;/h2*2-10H,1H3,(H2,19,20,21,22,23);/q;;+2/p-2
InChIKeyASIFYNPDBNNOLL-UHFFFAOYSA-L
MW698.20 g/mol
LogP6.18
Rot. Bonds6

About copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)

copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide) (PubChem CID 139241785) has the molecular formula C36H26CuN8O4 and a molecular weight of 698.20 g/mol. Its IUPAC name is copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide).

Molecular Properties

Compound Namecopper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)
PubChem CID139241785
Molecular FormulaC36H26CuN8O4
Molecular Weight698.20 g/mol
Exact Mass697.14
IUPAC Namecopper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)
SMILESC/C(=N\NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[n-]1.C/C(=N\NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[n-]1.[Cu+2]
InChIInChI=1S/2C18H14N4O2.Cu/c2*1-11(17-19-13-7-3-4-8-14(13)20-17)21-22-18(23)16-10-12-6-2-5-9-15(12)24-16;/h2*2-10H,1H3,(H2,19,20,21,22,23);/q;;+2/p-2
InChIKeyASIFYNPDBNNOLL-UHFFFAOYSA-L
XLogP6.18
TPSA163.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.20
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)?
The IUPAC name of copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide) (CID 139241785) is copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide).
What is the SMILES notation for copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)?
The canonical SMILES for copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide) is C/C(=N\NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[n-]1.C/C(=N\NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[n-]1.[Cu+2].
What is the InChIKey of copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)?
The InChIKey is ASIFYNPDBNNOLL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H14N4O2.Cu/c2*1-11(17-19-13-7-3-4-8-14(13)20-17)21-22-18(23)16-10-12-6-2-5-9-15(12)24-16;/h2*2-10H,1H3,(H2,19,20,21,22,23);/q;;+2/p-2.
What are the key properties of copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)?
copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide) has a molecular weight of 698.20 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide) is sourced from PubChem (CID 139241785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).