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

C15H12N4O2 — CID 135450762

IUPAC(4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(N/N=C/c2ccccc2)=N/C1=C\c1ccco1
InChIInChI=1S/C15H12N4O2/c20-14-13(9-12-7-4-8-21-12)17-15(18-14)19-16-10-11-5-2-1-3-6-11/h1-10H,(H2,17,18,19,20)/b13-9-,16-10+
InChIKeyJBVSHLLXEPXXIV-XMHXKSDUSA-N
MW280.29 g/mol
LogP1.73
Rot. Bonds3

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

(4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 135450762) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID135450762
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name(4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(N/N=C/c2ccccc2)=N/C1=C\c1ccco1
InChIInChI=1S/C15H12N4O2/c20-14-13(9-12-7-4-8-21-12)17-15(18-14)19-16-10-11-5-2-1-3-6-11/h1-10H,(H2,17,18,19,20)/b13-9-,16-10+
InChIKeyJBVSHLLXEPXXIV-XMHXKSDUSA-N
XLogP1.73
TPSA78.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676414
2-(2-(Furan-2-ylmethylene)hydrazinyl)-6-methylpyrimidin-4-ol
CID 135454397
6-Methyl-2-[(2E)-2-[(5-methylfuran-2-YL)methylidene]hydrazin-1-YL]-3,4-dihydropyrimidin-4-one
CID 135476878
2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135439368
2-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135486527
4-(Dimethylamino)benzaldehyde (4-(2-furylmethylene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl)hydrazone
CID 135494020
2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 135445599
4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-pyrimidine-6-carboxamide
CID 110525884
2-[(2Z)-2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one
CID 125981780
2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135788567
2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824537
4-methyl-2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135464033

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (CID 135450762) is (4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(N/N=C/c2ccccc2)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is JBVSHLLXEPXXIV-XMHXKSDUSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14-13(9-12-7-4-8-21-12)17-15(18-14)19-16-10-11-5-2-1-3-6-11/h1-10H,(H2,17,18,19,20)/b13-9-,16-10+.
What are the key properties of (4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
(4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 280.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 135450762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).