4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one

C17H14N4O — CID 135401845

IUPAC4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one
SMILESO=C1NC(NN=Cc2ccccc2)=NC1=Cc1ccccc1
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)
InChIKeyNSMAKNFNLHJIIE-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.14
Rot. Bonds3

About 4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one

4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one (PubChem CID 135401845) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one
PubChem CID135401845
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one
SMILESO=C1NC(NN=Cc2ccccc2)=NC1=Cc1ccccc1
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)
InChIKeyNSMAKNFNLHJIIE-UHFFFAOYSA-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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Related Compounds

(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one
CID 135505119
2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 135489854
(4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one
CID 136843378
(4Z)-4-benzylidene-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-1H-imidazol-5-one
CID 135467767
(4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one
CID 135519071
(4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one
CID 135611096
(4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one
CID 135611095
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-[(2E)-2-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one
CID 135536814
N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide
CID 137067085
4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one
CID 135489838
(5E)-5-benzylidene-3-methyl-1,2-dihydro-1,2,4-triazin-6-one
CID 17463875
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one?
The IUPAC name of 4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one (CID 135401845) is 4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one.
What is the SMILES notation for 4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one?
The canonical SMILES for 4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one is O=C1NC(NN=Cc2ccccc2)=NC1=Cc1ccccc1.
What is the InChIKey of 4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one?
The InChIKey is NSMAKNFNLHJIIE-UHFFFAOYSA-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).
What are the key properties of 4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one?
4-benzylidene-2-(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 4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one is sourced from PubChem (CID 135401845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).