(4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one

C17H16N2O2 — CID 136893541

IUPAC(4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1ccc(/C=C2/N=C(CCc3ccco3)NC2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-12-4-6-13(7-5-12)11-15-17(20)19-16(18-15)9-8-14-3-2-10-21-14/h2-7,10-11H,8-9H2,1H3,(H,18,19,20)/b15-11+
InChIKeyMTGMRCVQLLYADF-RVDMUPIBSA-N
MW280.33 g/mol
LogP3.09
Rot. Bonds4

About (4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one

(4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136893541) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136893541
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1ccc(/C=C2/N=C(CCc3ccco3)NC2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-12-4-6-13(7-5-12)11-15-17(20)19-16(18-15)9-8-14-3-2-10-21-14/h2-7,10-11H,8-9H2,1H3,(H,18,19,20)/b15-11+
InChIKeyMTGMRCVQLLYADF-RVDMUPIBSA-N
XLogP3.09
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.09
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-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136894687
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136894117
(4E)-4-[(3-fluoro-4-methoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136895118
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136895492
(4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136893809
(4E)-4-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
CID 108936557
(4E)-2-[2-(3-chlorophenyl)ethyl]-4-[(4-ethylphenyl)methylidene]-1H-imidazol-5-one
CID 136893706
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
CID 108936523
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(2-phenoxyethyl)-1H-imidazol-5-one
CID 136894131
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136894129
(4Z)-2-[2-(furan-2-yl)ethyl]-4-[(2,4,6-trimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937535
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893335

Frequently Asked Questions

What is the IUPAC name of (4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one (CID 136893541) is (4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one is Cc1ccc(/C=C2/N=C(CCc3ccco3)NC2=O)cc1.
What is the InChIKey of (4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is MTGMRCVQLLYADF-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-4-6-13(7-5-12)11-15-17(20)19-16(18-15)9-8-14-3-2-10-21-14/h2-7,10-11H,8-9H2,1H3,(H,18,19,20)/b15-11+.
What are the key properties of (4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 280.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136893541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).