(5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one

C17H16N2O2 — CID 177386068

IUPAC(5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one
SMILESCCOC1=N/C(=C/C2C=CC=C2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-2-21-17-18-15(12-13-8-6-7-9-13)16(20)19(17)14-10-4-3-5-11-14/h3-13H,2H2,1H3/b15-12+
InChIKeyQIPNUONQTSHQAF-NTCAYCPXSA-N
MW280.33 g/mol
LogP3.05
Rot. Bonds3

About (5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one

(5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one (PubChem CID 177386068) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one.

Molecular Properties

Compound Name(5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one
PubChem CID177386068
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one
SMILESCCOC1=N/C(=C/C2C=CC=C2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-2-21-17-18-15(12-13-8-6-7-9-13)16(20)19(17)14-10-4-3-5-11-14/h3-13H,2H2,1H3/b15-12+
InChIKeyQIPNUONQTSHQAF-NTCAYCPXSA-N
XLogP3.05
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359
(5Z)-5-(imidazo[1,2-a]pyridin-3-ylmethylidene)-2-methoxy-3-phenylimidazol-4-one
CID 10805494
(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1238668
5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
CID 3709387
(5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
CID 88898974
CID 155758715
CID 155758715
(5Z)-5-[(2-ethoxyphenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126056705
(5E)-5-[(5-bromo-2,4-diethoxyphenyl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126023578
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 66922272
5-[[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3658831
(3aR,4S,7R,7aR)-2-(4-ethoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98171061

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one?
The IUPAC name of (5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one (CID 177386068) is (5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one.
What is the SMILES notation for (5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one?
The canonical SMILES for (5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one is CCOC1=N/C(=C/C2C=CC=C2)C(=O)N1c1ccccc1.
What is the InChIKey of (5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one?
The InChIKey is QIPNUONQTSHQAF-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-21-17-18-15(12-13-8-6-7-9-13)16(20)19(17)14-10-4-3-5-11-14/h3-13H,2H2,1H3/b15-12+.
What are the key properties of (5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one?
(5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(cyclopenta-2,4-dien-1-ylmethylidene)-2-ethoxy-3-phenylimidazol-4-one is sourced from PubChem (CID 177386068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).