(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one

C14H9ClN2O2 — CID 136893883

IUPAC(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
SMILESO=C1NC(c2ccco2)=N/C1=C\c1ccccc1Cl
InChIInChI=1S/C14H9ClN2O2/c15-10-5-2-1-4-9(10)8-11-14(18)17-13(16-11)12-6-3-7-19-12/h1-8H,(H,16,17,18)/b11-8-
InChIKeyPCRBPHNNLFNTBL-FLIBITNWSA-N
MW272.69 g/mol
LogP2.85
Rot. Bonds2

About (4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one

(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one (PubChem CID 136893883) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is (4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
PubChem CID136893883
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
SMILESO=C1NC(c2ccco2)=N/C1=C\c1ccccc1Cl
InChIInChI=1S/C14H9ClN2O2/c15-10-5-2-1-4-9(10)8-11-14(18)17-13(16-11)12-6-3-7-19-12/h1-8H,(H,16,17,18)/b11-8-
InChIKeyPCRBPHNNLFNTBL-FLIBITNWSA-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

4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 171147748
(4Z)-4-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-1H-imidazol-5-one
CID 136893884
(4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895408
(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclopropyl-1H-imidazol-5-one
CID 136893879
(4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 136894143
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
CID 136893880
(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893093
(4Z)-2-[2-(2-chlorophenyl)ethyl]-4-[(2-chlorophenyl)methylidene]-1H-imidazol-5-one
CID 136893914
(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
CID 136893922
2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135519731
(4E)-2-(2-bromophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135699223
(4Z)-2-[2-(3-chlorophenyl)ethyl]-4-[(2-chlorophenyl)methylidene]-1H-imidazol-5-one
CID 136893915

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one (CID 136893883) is (4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one is O=C1NC(c2ccco2)=N/C1=C\c1ccccc1Cl.
What is the InChIKey of (4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
The InChIKey is PCRBPHNNLFNTBL-FLIBITNWSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-5-2-1-4-9(10)8-11-14(18)17-13(16-11)12-6-3-7-19-12/h1-8H,(H,16,17,18)/b11-8-.
What are the key properties of (4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-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 (4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one is sourced from PubChem (CID 136893883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).