1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione

C8H7ClN2O2S — CID 130624213

IUPAC1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccsc2Cl)C(=O)N1
InChIInChI=1S/C8H7ClN2O2S/c9-7-5(1-2-14-7)3-11-4-6(12)10-8(11)13/h1-2H,3-4H2,(H,10,12,13)
InChIKeyZOPGCFIXBJWJAT-UHFFFAOYSA-N
MW230.68 g/mol
LogP1.45
Rot. Bonds2

About 1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione

1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 130624213) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is 1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID130624213
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC Name1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccsc2Cl)C(=O)N1
InChIInChI=1S/C8H7ClN2O2S/c9-7-5(1-2-14-7)3-11-4-6(12)10-8(11)13/h1-2H,3-4H2,(H,10,12,13)
InChIKeyZOPGCFIXBJWJAT-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one
CID 131091967
1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione
CID 122226815
1-[(4-phenylphenyl)methyl]imidazolidine-2,4-dione
CID 57470956
2-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-fluorobenzonitrile
CID 107909168
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione
CID 91202663
4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741
4-[(2,4-dioxoimidazolidin-1-yl)methyl]-3-methylbenzonitrile
CID 114486009
1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 65326183
1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione
CID 106266616
1-benzylimidazolidine-2,4-dione;2-cyclohexylacetamide
CID 68593758
1-(3-chloropropyl)imidazolidine-2,4-dione
CID 118050354
(2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride
CID 87178948

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione (CID 130624213) is 1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione is O=C1CN(Cc2ccsc2Cl)C(=O)N1.
What is the InChIKey of 1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZOPGCFIXBJWJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c9-7-5(1-2-14-7)3-11-4-6(12)10-8(11)13/h1-2H,3-4H2,(H,10,12,13).
What are the key properties of 1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione?
1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 230.68 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorothiophen-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 130624213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).