5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one

C11H11BrN2OS — CID 82996942

IUPAC5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCC1(c2ccc(Br)cc2)NC(=S)NC1=O
InChIInChI=1S/C11H11BrN2OS/c1-2-11(9(15)13-10(16)14-11)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyFHXMPDSFMJSTHX-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.06
Rot. Bonds2

About 5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one

5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 82996942) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID82996942
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCC1(c2ccc(Br)cc2)NC(=S)NC1=O
InChIInChI=1S/C11H11BrN2OS/c1-2-11(9(15)13-10(16)14-11)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyFHXMPDSFMJSTHX-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997213
(5S)-5-ethyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7128778
3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione
CID 43155337
[4-[4-[(3-bromo-4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]phenyl] methanesulfonate
CID 87720044
5-ethyl-5-(4-methoxy-3-methylphenyl)imidazolidine-2,4-dione
CID 71683811
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297
5-(3,4-dimethoxyphenyl)-5-ethylimidazolidine-2,4-dione
CID 71683812
5-(3-bromo-4-fluorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 82997214
5-benzyl-5-ethyl-2-sulfanylideneimidazolidin-4-one
CID 82997586
[4-[4-[(3-bromo-4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]phenyl] benzenesulfonate
CID 87720440
5,5-dipropyl-2-sulfanylideneimidazolidin-4-one
CID 82997958
(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 41307521

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one (CID 82996942) is 5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one is CCC1(c2ccc(Br)cc2)NC(=S)NC1=O.
What is the InChIKey of 5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is FHXMPDSFMJSTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-2-11(9(15)13-10(16)14-11)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one?
5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 299.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 82996942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).