(5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione

C28H21FN2O3 — CID 126073883

IUPAC(5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C28H21FN2O3/c29-25-8-4-3-7-23(25)17-31-27(32)26(30-28(31)33)16-19-10-13-24(14-11-19)34-18-20-9-12-21-5-1-2-6-22(21)15-20/h1-16H,17-18H2,(H,30,33)/b26-16+
InChIKeyFAKHLZNWDVRPKD-WGOQTCKBSA-N
MW452.49 g/mol
LogP5.65
Rot. Bonds6

About (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126073883) has the molecular formula C28H21FN2O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126073883
Molecular FormulaC28H21FN2O3
Molecular Weight452.49 g/mol
Exact Mass452.15
IUPAC Name(5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C28H21FN2O3/c29-25-8-4-3-7-23(25)17-31-27(32)26(30-28(31)33)16-19-10-13-24(14-11-19)34-18-20-9-12-21-5-1-2-6-22(21)15-20/h1-16H,17-18H2,(H,30,33)/b26-16+
InChIKeyFAKHLZNWDVRPKD-WGOQTCKBSA-N
XLogP5.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 55.65
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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Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione (CID 126073883) is (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1ccccc1F.
What is the InChIKey of (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is FAKHLZNWDVRPKD-WGOQTCKBSA-N. The full InChI is InChI=1S/C28H21FN2O3/c29-25-8-4-3-7-23(25)17-31-27(32)26(30-28(31)33)16-19-10-13-24(14-11-19)34-18-20-9-12-21-5-1-2-6-22(21)15-20/h1-16H,17-18H2,(H,30,33)/b26-16+.
What are the key properties of (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 452.49 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126073883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).