5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione

C20H20N2O3 — CID 2929418

IUPAC5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCCC(C)Oc1ccc(C=C2NC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-3-14(2)25-17-11-9-15(10-12-17)13-18-19(23)22(20(24)21-18)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,21,24)
InChIKeyQKBKVMBHMBIZJM-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.96
Rot. Bonds5

About 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione

5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 2929418) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID2929418
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCCC(C)Oc1ccc(C=C2NC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-3-14(2)25-17-11-9-15(10-12-17)13-18-19(23)22(20(24)21-18)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,21,24)
InChIKeyQKBKVMBHMBIZJM-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-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

(5Z)-5-[[4-[(2S)-butan-2-yl]oxyphenyl]methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
CID 1323557
5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 69395355
(5E)-5-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 7323823
(5E)-5-[(4-butan-2-yloxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6394403
3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322
2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 7269294
5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
(5E)-5-[[3-bromo-4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126227610
(5Z)-5-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-1-(2-methoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 126021819
(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 6209258
2-[(4E)-4-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126207554
(5Z)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2301053

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 2929418) is 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione is CCC(C)Oc1ccc(C=C2NC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is QKBKVMBHMBIZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-14(2)25-17-11-9-15(10-12-17)13-18-19(23)22(20(24)21-18)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,21,24).
What are the key properties of 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 336.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2929418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).