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

C20H19FN2O3 — CID 92955324

IUPAC(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C20H19FN2O3/c1-13(2)26-16-9-7-14(8-10-16)11-18-19(24)23(20(25)22-18)12-15-5-3-4-6-17(15)21/h3-11,13H,12H2,1-2H3,(H,22,25)/b18-11-
InChIKeyCPVCXZNBJZYXBG-WQRHYEAKSA-N
MW354.38 g/mol
LogP3.71
Rot. Bonds5

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

(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 92955324) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is (5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID92955324
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C20H19FN2O3/c1-13(2)26-16-9-7-14(8-10-16)11-18-19(24)23(20(25)22-18)12-15-5-3-4-6-17(15)21/h3-11,13H,12H2,1-2H3,(H,22,25)/b18-11-
InChIKeyCPVCXZNBJZYXBG-WQRHYEAKSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.71
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'}

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Related Compounds

(5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126073883
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 900295
(5E)-3-[(2-fluorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 50855649
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 900298
5-[(2,6-dimethylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 68654624
methyl 2-[(4E)-2,5-dioxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazolidin-1-yl]acetate
CID 6369056
(5E)-5-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 7323823
(5E)-5-[[3-bromo-4-[(2S)-butan-2-yl]oxy-5-methoxyphenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126104379
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-methoxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 2188994
(5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 2187981
(5E)-5-[(2-chlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126110932
(5E)-5-[(4-butan-2-yloxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6394403

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione (CID 92955324) is (5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione is CC(C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1.
What is the InChIKey of (5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is CPVCXZNBJZYXBG-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-13(2)26-16-9-7-14(8-10-16)11-18-19(24)23(20(25)22-18)12-15-5-3-4-6-17(15)21/h3-11,13H,12H2,1-2H3,(H,22,25)/b18-11-.
What are the key properties of (5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 354.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 92955324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).