(3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione

C25H18N2O5 — CID 98559645

IUPAC(3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione
SMILESCC(=O)/C=c1\[nH]/c(=C\C=C/c2ccccc2)c(=O)n1/C=C1\C(=O)Oc2ccccc2C1=O
InChIInChI=1S/C25H18N2O5/c1-16(28)14-22-26-20(12-7-10-17-8-3-2-4-9-17)24(30)27(22)15-19-23(29)18-11-5-6-13-21(18)32-25(19)31/h2-15,26H,1H3/b10-7-,19-15-,20-12-,22-14+
InChIKeyHTZDFEWGQAPOFD-NAZCMORZSA-N
MW426.43 g/mol
LogP1.68
Rot. Bonds4

About (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione

(3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione (PubChem CID 98559645) has the molecular formula C25H18N2O5 and a molecular weight of 426.43 g/mol. Its IUPAC name is (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione
PubChem CID98559645
Molecular FormulaC25H18N2O5
Molecular Weight426.43 g/mol
Exact Mass426.12
IUPAC Name(3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione
SMILESCC(=O)/C=c1\[nH]/c(=C\C=C/c2ccccc2)c(=O)n1/C=C1\C(=O)Oc2ccccc2C1=O
InChIInChI=1S/C25H18N2O5/c1-16(28)14-22-26-20(12-7-10-17-8-3-2-4-9-17)24(30)27(22)15-19-23(29)18-11-5-6-13-21(18)32-25(19)31/h2-15,26H,1H3/b10-7-,19-15-,20-12-,22-14+
InChIKeyHTZDFEWGQAPOFD-NAZCMORZSA-N
XLogP1.68
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione
CID 14703519
(3Z)-3-[[4-(2-methyl-3-phenylprop-2-enylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione
CID 3004526
3-[(4-phenylpiperazin-1-yl)methylidene]chromene-2,4-dione
CID 4165268
3-[(4-ethylpiperazin-4-ium-1-yl)methylidene]chromene-2,4-dione
CID 3631306
(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one
CID 927453
N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide
CID 20844245
(3Z)-3-[(5-methylthiophen-2-yl)methylidene]-1-benzofuran-2-one
CID 56827924
ethane;(3E)-3-ethylidene-1-benzofuran-2-one
CID 143284519
(3Z)-3-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione
CID 6477407
acetic acid;stilbene
CID 172803728
1-butyl-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]sulfanylurea
CID 20831982
tert-butyl (3E)-4-oxo-3-[(E)-3-phenylprop-2-enylidene]-2H-quinoline-1-carboxylate
CID 138983720

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione (CID 98559645) is (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione is CC(=O)/C=c1\[nH]/c(=C\C=C/c2ccccc2)c(=O)n1/C=C1\C(=O)Oc2ccccc2C1=O.
What is the InChIKey of (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione?
The InChIKey is HTZDFEWGQAPOFD-NAZCMORZSA-N. The full InChI is InChI=1S/C25H18N2O5/c1-16(28)14-22-26-20(12-7-10-17-8-3-2-4-9-17)24(30)27(22)15-19-23(29)18-11-5-6-13-21(18)32-25(19)31/h2-15,26H,1H3/b10-7-,19-15-,20-12-,22-14+.
What are the key properties of (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione?
(3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione has a molecular weight of 426.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione is sourced from PubChem (CID 98559645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).