(5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione

C14H9ClN2O2S — CID 5400771

IUPAC(5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccsc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN2O2S/c15-10-2-1-3-11(7-10)17-13(18)12(16-14(17)19)6-9-4-5-20-8-9/h1-8H,(H,16,19)/b12-6-
InChIKeyGFBSFUDHAXFWER-SDQBBNPISA-N
MW304.76 g/mol
LogP3.50
Rot. Bonds2

About (5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione

(5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 5400771) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is (5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
PubChem CID5400771
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name(5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccsc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN2O2S/c15-10-2-1-3-11(7-10)17-13(18)12(16-14(17)19)6-9-4-5-20-8-9/h1-8H,(H,16,19)/b12-6-
InChIKeyGFBSFUDHAXFWER-SDQBBNPISA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.50
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)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 751927
(5Z)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 2190076
3-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3374568
(5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5415849
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100759
(5E)-3-(3-chlorophenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 5287122
methyl 4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
CID 2188784
(5E)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
(5Z)-3-(3-chlorophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6520407
5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1309269
2-[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 21214144
3-(3-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 2938312

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione (CID 5400771) is (5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is O=C1N/C(=C\c2ccsc2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is GFBSFUDHAXFWER-SDQBBNPISA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-10-2-1-3-11(7-10)17-13(18)12(16-14(17)19)6-9-4-5-20-8-9/h1-8H,(H,16,19)/b12-6-.
What are the key properties of (5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
(5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 304.76 g/mol, XLogP of 3.50, 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-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 5400771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).