(5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one

C16H14N2O3 — CID 11254546

IUPAC(5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(c3ccco3)N(C)C2=O)cc1
InChIInChI=1S/C16H14N2O3/c1-18-15(14-4-3-9-21-14)17-13(16(18)19)10-11-5-7-12(20-2)8-6-11/h3-10H,1-2H3/b13-10+
InChIKeyOYOLWMHDGBQZAZ-JLHYYAGUSA-N
MW282.30 g/mol
LogP2.55
Rot. Bonds3

About (5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one

(5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one (PubChem CID 11254546) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
PubChem CID11254546
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(c3ccco3)N(C)C2=O)cc1
InChIInChI=1S/C16H14N2O3/c1-18-15(14-4-3-9-21-14)17-13(16(18)19)10-11-5-7-12(20-2)8-6-11/h3-10H,1-2H3/b13-10+
InChIKeyOYOLWMHDGBQZAZ-JLHYYAGUSA-N
XLogP2.55
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one
CID 102212910
(5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
CID 13436397
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
2-(2-methoxyphenyl)-3-[6-[2-(2-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(4-methoxyphenyl)methylidene]imidazol-4-one
CID 4874701
(5Z)-5-[(4-fluorophenyl)methylidene]-3-(3-methoxyphenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 156601529
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
(5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(4-methoxyphenyl)methylidene]imidazol-4-one
CID 6223611
2-(2-bromophenyl)-3-[6-[2-(2-bromophenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(4-methoxyphenyl)methylidene]imidazol-4-one
CID 4874714
(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964
2-(4-butoxyphenyl)-3-[2-[2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]ethyl]-5-[(4-methoxyphenyl)methylidene]imidazol-4-one
CID 4874677

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one?
The IUPAC name of (5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one (CID 11254546) is (5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one.
What is the SMILES notation for (5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one?
The canonical SMILES for (5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one is COc1ccc(/C=C2/N=C(c3ccco3)N(C)C2=O)cc1.
What is the InChIKey of (5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one?
The InChIKey is OYOLWMHDGBQZAZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-15(14-4-3-9-21-14)17-13(16(18)19)10-11-5-7-12(20-2)8-6-11/h3-10H,1-2H3/b13-10+.
What are the key properties of (5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one?
(5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one is sourced from PubChem (CID 11254546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).