(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one

C14H9ClN2O2 — CID 136893093

IUPAC(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)cc2)=N/C1=C/c1ccco1
InChIInChI=1S/C14H9ClN2O2/c15-10-5-3-9(4-6-10)13-16-12(14(18)17-13)8-11-2-1-7-19-11/h1-8H,(H,16,17,18)/b12-8+
InChIKeyQZXJYTGHPLCEPD-XYOKQWHBSA-N
MW272.69 g/mol
LogP2.85
Rot. Bonds2

About (4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one

(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 136893093) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is (4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID136893093
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)cc2)=N/C1=C/c1ccco1
InChIInChI=1S/C14H9ClN2O2/c15-10-5-3-9(4-6-10)13-16-12(14(18)17-13)8-11-2-1-7-19-11/h1-8H,(H,16,17,18)/b12-8+
InChIKeyQZXJYTGHPLCEPD-XYOKQWHBSA-N
XLogP2.85
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135519731
(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893097
(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893104
(4E)-2-(2-bromophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135699223
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629
(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893256
(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135934938
2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one
CID 136665622
4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 171147744
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 136893883
(5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2179731
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (CID 136893093) is (4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(c2ccc(Cl)cc2)=N/C1=C/c1ccco1.
What is the InChIKey of (4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is QZXJYTGHPLCEPD-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-5-3-9(4-6-10)13-16-12(14(18)17-13)8-11-2-1-7-19-11/h1-8H,(H,16,17,18)/b12-8+.
What are the key properties of (4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 272.69 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 136893093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).