(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one

C9H7BrN2OS — CID 123776388

IUPAC(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C/c2sccc2Br)[nH]1
InChIInChI=1S/C9H7BrN2OS/c1-5-11-7(9(13)12-5)4-8-6(10)2-3-14-8/h2-4,11H,1H2,(H,12,13)/b7-4-
InChIKeyDIVUFDRCLASVDF-DAXSKMNVSA-N
MW271.14 g/mol
LogP0.77
Rot. Bonds1

About (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one

(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one (PubChem CID 123776388) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one
PubChem CID123776388
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C/c2sccc2Br)[nH]1
InChIInChI=1S/C9H7BrN2OS/c1-5-11-7(9(13)12-5)4-8-6(10)2-3-14-8/h2-4,11H,1H2,(H,12,13)/b7-4-
InChIKeyDIVUFDRCLASVDF-DAXSKMNVSA-N
XLogP0.77
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 1277565
5-((5-Bromo-2-thienyl)methylene)-2-thioxo-4-imidazolidinone
CID 5468923
(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
5-(2-Thenylidene)-2-thioxoimidazolidin-4-one
CID 710212
CID 154735528
CID 154735528
(5E)-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
CID 6307122

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one (CID 123776388) is (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one is C=c1[nH]c(=O)/c(=C/c2sccc2Br)[nH]1.
What is the InChIKey of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one?
The InChIKey is DIVUFDRCLASVDF-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c1-5-11-7(9(13)12-5)4-8-6(10)2-3-14-8/h2-4,11H,1H2,(H,12,13)/b7-4-.
What are the key properties of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one?
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one has a molecular weight of 271.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-methylideneimidazolidin-4-one is sourced from PubChem (CID 123776388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).