5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione

C10H9BrN2O2S — CID 900533

IUPAC5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(=Cc2cc(Br)cs2)C1=O
InChIInChI=1S/C10H9BrN2O2S/c1-2-13-9(14)8(12-10(13)15)4-7-3-6(11)5-16-7/h3-5H,2H2,1H3,(H,12,15)
InChIKeyMGSVCVZKATTWTP-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.42
Rot. Bonds2

About 5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione

5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione (PubChem CID 900533) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione
PubChem CID900533
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(=Cc2cc(Br)cs2)C1=O
InChIInChI=1S/C10H9BrN2O2S/c1-2-13-9(14)8(12-10(13)15)4-7-3-6(11)5-16-7/h3-5H,2H2,1H3,(H,12,15)
InChIKeyMGSVCVZKATTWTP-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.42
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

3-Ethyl-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2181114
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5400728
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
3-Isobutyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5411556
(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 1277565
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 56949755
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 56949899
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 56949904
(5Z)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 56950034
(5E)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 122192375
CID 154735528
CID 154735528
3-Ethyl-5-[(5-methyl-2-thiophenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
CID 750938

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione (CID 900533) is 5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione is CCN1C(=O)NC(=Cc2cc(Br)cs2)C1=O.
What is the InChIKey of 5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
The InChIKey is MGSVCVZKATTWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-2-13-9(14)8(12-10(13)15)4-7-3-6(11)5-16-7/h3-5H,2H2,1H3,(H,12,15).
What are the key properties of 5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione has a molecular weight of 301.17 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 900533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).