(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one

C17H12ClFN2O — CID 136893587

IUPAC(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(Cc2ccc(Cl)cc2)=N/C1=C\c1ccccc1F
InChIInChI=1S/C17H12ClFN2O/c18-13-7-5-11(6-8-13)9-16-20-15(17(22)21-16)10-12-3-1-2-4-14(12)19/h1-8,10H,9H2,(H,20,21,22)/b15-10-
InChIKeyCXNJCXCMFAGSFC-GDNBJRDFSA-N
MW314.75 g/mol
LogP3.59
Rot. Bonds3

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

(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136893587) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is (4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
PubChem CID136893587
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(Cc2ccc(Cl)cc2)=N/C1=C\c1ccccc1F
InChIInChI=1S/C17H12ClFN2O/c18-13-7-5-11(6-8-13)9-16-20-15(17(22)21-16)10-12-3-1-2-4-14(12)19/h1-8,10H,9H2,(H,20,21,22)/b15-10-
InChIKeyCXNJCXCMFAGSFC-GDNBJRDFSA-N
XLogP3.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-benzylidene-2-[(4-chlorophenyl)methyl]-1H-imidazol-5-one
CID 136893375
(4Z)-4-[(2-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
CID 136893590
(4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895542
(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893104
(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893560
(4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894844
(4E)-2-benzyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893155
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1H-imidazol-5-one
CID 136894476
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
CID 136893880
(4Z)-2-[2-(3-chlorophenyl)ethyl]-4-[(2-chlorophenyl)methylidene]-1H-imidazol-5-one
CID 136893915
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-one
CID 136895379
(4Z)-2-[2-(2-chlorophenyl)ethyl]-4-[(2-chlorophenyl)methylidene]-1H-imidazol-5-one
CID 136893914

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one (CID 136893587) is (4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one is O=C1NC(Cc2ccc(Cl)cc2)=N/C1=C\c1ccccc1F.
What is the InChIKey of (4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is CXNJCXCMFAGSFC-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-13-7-5-11(6-8-13)9-16-20-15(17(22)21-16)10-12-3-1-2-4-14(12)19/h1-8,10H,9H2,(H,20,21,22)/b15-10-.
What are the key properties of (4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 314.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136893587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).