(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one

C17H14N4O — CID 135505119

IUPAC(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one
SMILESO=C1NC(N/N=C\c2ccccc2)=N/C1=C/c1ccccc1
InChIInChI=1S/C17H14N4O/c22-16-15(11-13-7-3-1-4-8-13)19-17(20-16)21-18-12-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)/b15-11+,18-12-
InChIKeyNSMAKNFNLHJIIE-YGPCBGHTSA-N
MW290.33 g/mol
LogP2.14
Rot. Bonds3

About (4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one

(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one (PubChem CID 135505119) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is (4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one
PubChem CID135505119
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one
SMILESO=C1NC(N/N=C\c2ccccc2)=N/C1=C/c1ccccc1
InChIInChI=1S/C17H14N4O/c22-16-15(11-13-7-3-1-4-8-13)19-17(20-16)21-18-12-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)/b15-11+,18-12-
InChIKeyNSMAKNFNLHJIIE-YGPCBGHTSA-N
XLogP2.14
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one?
The IUPAC name of (4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one (CID 135505119) is (4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one is O=C1NC(N/N=C\c2ccccc2)=N/C1=C/c1ccccc1.
What is the InChIKey of (4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one?
The InChIKey is NSMAKNFNLHJIIE-YGPCBGHTSA-N. The full InChI is InChI=1S/C17H14N4O/c22-16-15(11-13-7-3-1-4-8-13)19-17(20-16)21-18-12-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)/b15-11+,18-12-.
What are the key properties of (4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one?
(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one has a molecular weight of 290.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one is sourced from PubChem (CID 135505119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).