(5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one

C13H14N2O2 — CID 59921584

IUPAC(5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one
SMILESCCO/C=C1\N=C(c2ccccc2)N(C)C1=O
InChIInChI=1S/C13H14N2O2/c1-3-17-9-11-13(16)15(2)12(14-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9-
InChIKeyZIHAHORRTDUNHG-LUAWRHEFSA-N
MW230.27 g/mol
LogP1.78
Rot. Bonds3

About (5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one

(5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one (PubChem CID 59921584) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one
PubChem CID59921584
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one
SMILESCCO/C=C1\N=C(c2ccccc2)N(C)C1=O
InChIInChI=1S/C13H14N2O2/c1-3-17-9-11-13(16)15(2)12(14-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9-
InChIKeyZIHAHORRTDUNHG-LUAWRHEFSA-N
XLogP1.78
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium (E)-(1-methyl-5-oxo-2-phenylimidazol-4-ylidene)methanolate
CID 20731528
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one
CID 46898573
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one
CID 1392036
5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359
(4E)-2-benzhydryl-4-(ethoxymethylidene)-1,3-oxazol-5-one
CID 5355274
5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(2-methylphenyl)imidazol-4-one
CID 91989029
5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
CID 3709387
2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid
CID 5072268
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
(5E)-5-[[6-[2-hydroxyethyl(methyl)amino]-7-methyl-7,7a-dihydro-1-benzothiophen-2-yl]methylidene]-3-methyl-2-phenylimidazol-4-one
CID 145445257
(5E)-5-ethylidene-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
CID 70681332

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one?
The IUPAC name of (5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one (CID 59921584) is (5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one?
The canonical SMILES for (5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one is CCO/C=C1\N=C(c2ccccc2)N(C)C1=O.
What is the InChIKey of (5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one?
The InChIKey is ZIHAHORRTDUNHG-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-17-9-11-13(16)15(2)12(14-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9-.
What are the key properties of (5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one?
(5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(ethoxymethylidene)-3-methyl-2-phenylimidazol-4-one is sourced from PubChem (CID 59921584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).