3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione

C21H21FN2O4 — CID 3998244

IUPAC3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cccc(C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)c1OC(C)C
InChIInChI=1S/C21H21FN2O4/c1-13(2)28-19-15(5-4-6-18(19)27-3)11-17-20(25)24(21(26)23-17)12-14-7-9-16(22)10-8-14/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyZVFRGYBKZFWXPC-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.71
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione

3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 3998244) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID3998244
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cccc(C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)c1OC(C)C
InChIInChI=1S/C21H21FN2O4/c1-13(2)28-19-15(5-4-6-18(19)27-3)11-17-20(25)24(21(26)23-17)12-14-7-9-16(22)10-8-14/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyZVFRGYBKZFWXPC-UHFFFAOYSA-N
XLogP3.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248453
N-(4-fluorophenyl)-2-[(4E)-4-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 22778642
methyl 2-[4-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 71832654
3-[(4-fluorophenyl)methyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5198062
3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2927735
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 126025178
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148692
(5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126016951
(2R)-2-[4-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 26364975
(2R)-2-[4-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 7325161
(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 750602
methyl 2-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490219

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione (CID 3998244) is 3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione is COc1cccc(C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)c1OC(C)C.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is ZVFRGYBKZFWXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-13(2)28-19-15(5-4-6-18(19)27-3)11-17-20(25)24(21(26)23-17)12-14-7-9-16(22)10-8-14/h4-11,13H,12H2,1-3H3,(H,23,26).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 384.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 3998244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).