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

C14H9BrN2O2S — CID 895680

IUPAC5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccc(Br)s2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H9BrN2O2S/c15-12-7-6-10(20-12)8-11-13(18)17(14(19)16-11)9-4-2-1-3-5-9/h1-8H,(H,16,19)
InChIKeyDVALEDAZULCZHM-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.61
Rot. Bonds2

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

5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 895680) has the molecular formula C14H9BrN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID895680
Molecular FormulaC14H9BrN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.96
IUPAC Name5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccc(Br)s2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H9BrN2O2S/c15-12-7-6-10(20-12)8-11-13(18)17(14(19)16-11)9-4-2-1-3-5-9/h1-8H,(H,16,19)
InChIKeyDVALEDAZULCZHM-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.61
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
3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 24564692
5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
(5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5415849
(5E)-5-[(5-bromothiophen-2-yl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
CID 2267004
(5E)-5-[(5-bromothiophen-2-yl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2201817
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2177655
(5E)-5-[(5-bromothiophen-2-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 6532773
(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2177673
(5Z)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2301053
5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 3994258

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 895680) is 5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione is O=C1NC(=Cc2ccc(Br)s2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is DVALEDAZULCZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2S/c15-12-7-6-10(20-12)8-11-13(18)17(14(19)16-11)9-4-2-1-3-5-9/h1-8H,(H,16,19).
What are the key properties of 5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 349.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 895680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).