5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione

C14H12N2O2S — CID 156538318

IUPAC5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(=Cc2csc3ccccc23)C1=O
InChIInChI=1S/C14H12N2O2S/c1-2-16-13(17)11(15-14(16)18)7-9-8-19-12-6-4-3-5-10(9)12/h3-8H,2H2,1H3,(H,15,18)
InChIKeyAXETVMIPZYIOBJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.81
Rot. Bonds2

About 5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione

5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione (PubChem CID 156538318) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione
PubChem CID156538318
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(=Cc2csc3ccccc23)C1=O
InChIInChI=1S/C14H12N2O2S/c1-2-16-13(17)11(15-14(16)18)7-9-8-19-12-6-4-3-5-10(9)12/h3-8H,2H2,1H3,(H,15,18)
InChIKeyAXETVMIPZYIOBJ-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
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

(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 156556130
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126233258
5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 5041108
5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 3906017
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5411335
5-(1-benzothiophen-3-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91251863
(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 156538731
(5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione
CID 126248673
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 126256878

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione?
The IUPAC name of 5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione (CID 156538318) is 5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for 5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione is CCN1C(=O)NC(=Cc2csc3ccccc23)C1=O.
What is the InChIKey of 5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione?
The InChIKey is AXETVMIPZYIOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-16-13(17)11(15-14(16)18)7-9-8-19-12-6-4-3-5-10(9)12/h3-8H,2H2,1H3,(H,15,18).
What are the key properties of 5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione?
5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione has a molecular weight of 272.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 156538318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).