2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one

C18H16N4O — CID 135489854

IUPAC2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1ccc(C=C2N=C(NN=Cc3ccccc3)NC2=O)cc1
InChIInChI=1S/C18H16N4O/c1-13-7-9-14(10-8-13)11-16-17(23)21-18(20-16)22-19-12-15-5-3-2-4-6-15/h2-12H,1H3,(H2,20,21,22,23)
InChIKeyKEHWABRYEMPSBL-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one

2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135489854) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID135489854
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1ccc(C=C2N=C(NN=Cc3ccccc3)NC2=O)cc1
InChIInChI=1S/C18H16N4O/c1-13-7-9-14(10-8-13)11-16-17(23)21-18(20-16)22-19-12-15-5-3-2-4-6-15/h2-12H,1H3,(H2,20,21,22,23)
InChIKeyKEHWABRYEMPSBL-UHFFFAOYSA-N
XLogP2.45
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.45
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
4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one
CID 135401845
(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 137309259
(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)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one
CID 135611096
(4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one
CID 135519071
(5E)-5-benzylidene-3-methyl-1,2-dihydro-1,2,4-triazin-6-one
CID 17463875
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-[(2E)-2-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one
CID 135536814
(3E)-3-benzylidene-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 135800941
N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide
CID 137067085
(4Z)-4-[(4-methylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6143864

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of 2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one (CID 135489854) is 2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for 2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for 2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one is Cc1ccc(C=C2N=C(NN=Cc3ccccc3)NC2=O)cc1.
What is the InChIKey of 2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is KEHWABRYEMPSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-7-9-14(10-8-13)11-16-17(23)21-18(20-16)22-19-12-15-5-3-2-4-6-15/h2-12H,1H3,(H2,20,21,22,23).
What are the key properties of 2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 304.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135489854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).