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

C14H8Cl2N2O2S — CID 5415849

IUPAC(5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccc(Cl)s2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H8Cl2N2O2S/c15-8-2-1-3-9(6-8)18-13(19)11(17-14(18)20)7-10-4-5-12(16)21-10/h1-7H,(H,17,20)/b11-7-
InChIKeyVBPNHKBYIPRCPD-XFFZJAGNSA-N
MW339.20 g/mol
LogP4.15
Rot. Bonds2

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

(5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 5415849) has the molecular formula C14H8Cl2N2O2S and a molecular weight of 339.20 g/mol. Its IUPAC name is (5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID5415849
Molecular FormulaC14H8Cl2N2O2S
Molecular Weight339.20 g/mol
Exact Mass337.97
IUPAC Name(5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccc(Cl)s2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H8Cl2N2O2S/c15-8-2-1-3-9(6-8)18-13(19)11(17-14(18)20)7-10-4-5-12(16)21-10/h1-7H,(H,17,20)/b11-7-
InChIKeyVBPNHKBYIPRCPD-XFFZJAGNSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.15
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)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2301107
(5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 5400771
(5Z)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 2190076
(5E)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
(5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 751927
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100759
5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1309269
3-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3374568
3-(3-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 2938312
(5E)-3-(3-chlorophenyl)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 889426
(5Z)-3-(3-chlorophenyl)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 46500101
5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 895680

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione (CID 5415849) is (5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione is O=C1N/C(=C\c2ccc(Cl)s2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is VBPNHKBYIPRCPD-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2S/c15-8-2-1-3-9(6-8)18-13(19)11(17-14(18)20)7-10-4-5-12(16)21-10/h1-7H,(H,17,20)/b11-7-.
What are the key properties of (5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 339.20 g/mol, XLogP of 4.15, 2 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-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 5415849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).