(4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one

C21H18N2O3 — CID 155562007

IUPAC(4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one
SMILESCOc1cc(/C=C/C=C2\N=C(/C=C/c3ccccc3)NC2=O)ccc1O
InChIInChI=1S/C21H18N2O3/c1-26-19-14-16(10-12-18(19)24)8-5-9-17-21(25)23-20(22-17)13-11-15-6-3-2-4-7-15/h2-14,24H,1H3,(H,22,23,25)/b8-5+,13-11+,17-9-
InChIKeyWCYLPRBFGGBJJP-KGWSIPNBSA-N
MW346.39 g/mol
LogP3.54
Rot. Bonds5

About (4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one

(4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one (PubChem CID 155562007) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one
PubChem CID155562007
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name(4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one
SMILESCOc1cc(/C=C/C=C2\N=C(/C=C/c3ccccc3)NC2=O)ccc1O
InChIInChI=1S/C21H18N2O3/c1-26-19-14-16(10-12-18(19)24)8-5-9-17-21(25)23-20(22-17)13-11-15-6-3-2-4-7-15/h2-14,24H,1H3,(H,22,23,25)/b8-5+,13-11+,17-9-
InChIKeyWCYLPRBFGGBJJP-KGWSIPNBSA-N
XLogP3.54
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one (CID 155562007) is (4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one is COc1cc(/C=C/C=C2\N=C(/C=C/c3ccccc3)NC2=O)ccc1O.
What is the InChIKey of (4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one?
The InChIKey is WCYLPRBFGGBJJP-KGWSIPNBSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-19-14-16(10-12-18(19)24)8-5-9-17-21(25)23-20(22-17)13-11-15-6-3-2-4-7-15/h2-14,24H,1H3,(H,22,23,25)/b8-5+,13-11+,17-9-.
What are the key properties of (4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one?
(4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one has a molecular weight of 346.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1H-imidazol-5-one is sourced from PubChem (CID 155562007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).