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

C15H11ClN2O2 — CID 136893104

IUPAC(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(Cc2ccc(Cl)cc2)=N/C1=C/c1ccco1
InChIInChI=1S/C15H11ClN2O2/c16-11-5-3-10(4-6-11)8-14-17-13(15(19)18-14)9-12-2-1-7-20-12/h1-7,9H,8H2,(H,17,18,19)/b13-9+
InChIKeyGKIBSMVYMZYFFT-UKTHLTGXSA-N
MW286.72 g/mol
LogP3.04
Rot. Bonds3

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

(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 136893104) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is (4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID136893104
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(Cc2ccc(Cl)cc2)=N/C1=C/c1ccco1
InChIInChI=1S/C15H11ClN2O2/c16-11-5-3-10(4-6-11)8-14-17-13(15(19)18-14)9-12-2-1-7-20-12/h1-7,9H,8H2,(H,17,18,19)/b13-9+
InChIKeyGKIBSMVYMZYFFT-UKTHLTGXSA-N
XLogP3.04
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.04
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

(4E)-4-benzylidene-2-[(4-chlorophenyl)methyl]-1H-imidazol-5-one
CID 136893375
(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893093
(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893587
2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135519731
(4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895542
(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135934938
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136895492
(4E)-2-(2-bromophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135699223
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893335
(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893097
(4E)-2-benzyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893155
1,2-bis(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione
CID 127036806

Frequently Asked Questions

What is the IUPAC name of (4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (CID 136893104) is (4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(Cc2ccc(Cl)cc2)=N/C1=C/c1ccco1.
What is the InChIKey of (4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is GKIBSMVYMZYFFT-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-11-5-3-10(4-6-11)8-14-17-13(15(19)18-14)9-12-2-1-7-20-12/h1-7,9H,8H2,(H,17,18,19)/b13-9+.
What are the key properties of (4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 286.72 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 136893104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).