(5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione

C16H13FN2O2S — CID 751920

IUPAC(5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccsc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O
InChIInChI=1S/C16H13FN2O2S/c1-10-6-7-22-14(10)8-13-15(20)19(16(21)18-13)9-11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H,18,21)/b13-8+
InChIKeyOLHNXKUAXCFRBO-MDWZMJQESA-N
MW316.36 g/mol
LogP3.29
Rot. Bonds3

About (5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 751920) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is (5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID751920
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name(5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccsc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O
InChIInChI=1S/C16H13FN2O2S/c1-10-6-7-22-14(10)8-13-15(20)19(16(21)18-13)9-11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H,18,21)/b13-8+
InChIKeyOLHNXKUAXCFRBO-MDWZMJQESA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.29
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-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione (CID 751920) is (5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione is Cc1ccsc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O.
What is the InChIKey of (5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is OLHNXKUAXCFRBO-MDWZMJQESA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-10-6-7-22-14(10)8-13-15(20)19(16(21)18-13)9-11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H,18,21)/b13-8+.
What are the key properties of (5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 3.29, 3 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-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 751920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).