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

C11H11BrN2O2S — CID 126236654

IUPAC(5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(Br)cs2)C1=O
InChIInChI=1S/C11H11BrN2O2S/c1-2-3-14-10(15)9(13-11(14)16)5-8-4-7(12)6-17-8/h4-6H,2-3H2,1H3,(H,13,16)/b9-5+
InChIKeyDPTNEMADLOFJBE-WEVVVXLNSA-N
MW315.19 g/mol
LogP2.81
Rot. Bonds3

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

(5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126236654) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is (5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126236654
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name(5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(Br)cs2)C1=O
InChIInChI=1S/C11H11BrN2O2S/c1-2-3-14-10(15)9(13-11(14)16)5-8-4-7(12)6-17-8/h4-6H,2-3H2,1H3,(H,13,16)/b9-5+
InChIKeyDPTNEMADLOFJBE-WEVVVXLNSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.81
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

2-[(4E)-4-[(4-bromothiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126218386
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126246821
(5E)-5-[[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126236759
5-[(4-bromothiophen-2-yl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1209893
5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
CID 54398318
(5E)-5-[(3,5-diiodo-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126252175
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126251195
(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126245593
(5E)-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126242522
(5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 30907053
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5411335

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione (CID 126236654) is (5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N/C(=C/c2cc(Br)cs2)C1=O.
What is the InChIKey of (5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is DPTNEMADLOFJBE-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-2-3-14-10(15)9(13-11(14)16)5-8-4-7(12)6-17-8/h4-6H,2-3H2,1H3,(H,13,16)/b9-5+.
What are the key properties of (5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione?
(5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 315.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-bromothiophen-2-yl)methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126236654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).