4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one

C10H13BrN2OS2 — CID 116982246

IUPAC4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESCN1C(=O)N(CCS)CC1c1ccc(Br)s1
InChIInChI=1S/C10H13BrN2OS2/c1-12-7(8-2-3-9(11)16-8)6-13(4-5-15)10(12)14/h2-3,7,15H,4-6H2,1H3
InChIKeyWNCMXOPMHHDSQD-UHFFFAOYSA-N
MW321.27 g/mol
LogP2.85
Rot. Bonds3

About 4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one

4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one (PubChem CID 116982246) has the molecular formula C10H13BrN2OS2 and a molecular weight of 321.27 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
PubChem CID116982246
Molecular FormulaC10H13BrN2OS2
Molecular Weight321.27 g/mol
Exact Mass319.97
IUPAC Name4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESCN1C(=O)N(CCS)CC1c1ccc(Br)s1
InChIInChI=1S/C10H13BrN2OS2/c1-12-7(8-2-3-9(11)16-8)6-13(4-5-15)10(12)14/h2-3,7,15H,4-6H2,1H3
InChIKeyWNCMXOPMHHDSQD-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one
CID 116981193
4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one
CID 116982714
2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
CID 116982015
4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982256
2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982457
4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one
CID 116982680
3-[4-(4-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982042
3-methyl-1-[2-(methylamino)ethyl]-4-(4-methylphenyl)imidazolidin-2-one
CID 116981228
4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116981245
4-(5-bromothiophen-2-yl)-1-(2-hydroxyethyl)imidazolidin-2-one
CID 116979352
4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidine-1-carbonitrile
CID 116982351
1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981441

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The IUPAC name of 4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one (CID 116982246) is 4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one is CN1C(=O)N(CCS)CC1c1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The InChIKey is WNCMXOPMHHDSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS2/c1-12-7(8-2-3-9(11)16-8)6-13(4-5-15)10(12)14/h2-3,7,15H,4-6H2,1H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one?
4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one has a molecular weight of 321.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one is sourced from PubChem (CID 116982246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).