(5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione

C17H13ClN2O2S — CID 2190628

IUPAC(5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCSc1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H13ClN2O2S/c1-23-14-7-5-11(6-8-14)9-15-16(21)20(17(22)19-15)13-4-2-3-12(18)10-13/h2-10H,1H3,(H,19,22)/b15-9-
InChIKeyGASSAAANROCKLJ-DHDCSXOGSA-N
MW344.82 g/mol
LogP4.16
Rot. Bonds3

About (5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2190628) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2190628
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCSc1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H13ClN2O2S/c1-23-14-7-5-11(6-8-14)9-15-16(21)20(17(22)19-15)13-4-2-3-12(18)10-13/h2-10H,1H3,(H,19,22)/b15-9-
InChIKeyGASSAAANROCKLJ-DHDCSXOGSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.16
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 (5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione (CID 2190628) is (5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione is CSc1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of (5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is GASSAAANROCKLJ-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-23-14-7-5-11(6-8-14)9-15-16(21)20(17(22)19-15)13-4-2-3-12(18)10-13/h2-10H,1H3,(H,19,22)/b15-9-.
What are the key properties of (5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 344.82 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2190628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).