(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione

C16H11IN2O3 — CID 127041954

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(I)c1
InChIInChI=1S/C16H11IN2O3/c17-11-2-1-3-12(9-11)19-15(21)14(18-16(19)22)8-10-4-6-13(20)7-5-10/h1-9,20H,(H,18,22)/b14-8-
InChIKeyXBPNHYVJLKPHGT-ZSOIEALJSA-N
MW406.18 g/mol
LogP3.09
Rot. Bonds2

About (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione

(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione (PubChem CID 127041954) has the molecular formula C16H11IN2O3 and a molecular weight of 406.18 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione
PubChem CID127041954
Molecular FormulaC16H11IN2O3
Molecular Weight406.18 g/mol
Exact Mass405.98
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(I)c1
InChIInChI=1S/C16H11IN2O3/c17-11-2-1-3-12(9-11)19-15(21)14(18-16(19)22)8-10-4-6-13(20)7-5-10/h1-9,20H,(H,18,22)/b14-8-
InChIKeyXBPNHYVJLKPHGT-ZSOIEALJSA-N
XLogP3.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.18
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione (CID 127041954) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione is O=C1N/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(I)c1.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione?
The InChIKey is XBPNHYVJLKPHGT-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H11IN2O3/c17-11-2-1-3-12(9-11)19-15(21)14(18-16(19)22)8-10-4-6-13(20)7-5-10/h1-9,20H,(H,18,22)/b14-8-.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione?
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione has a molecular weight of 406.18 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3-iodophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 127041954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).