4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one

C11H13BrN2OS — CID 116979888

IUPAC4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESO=C1NC(c2ccccc2Br)CN1CCS
InChIInChI=1S/C11H13BrN2OS/c12-9-4-2-1-3-8(9)10-7-14(5-6-16)11(15)13-10/h1-4,10,16H,5-7H2,(H,13,15)
InChIKeyWQSUFAINWKWMQE-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.45
Rot. Bonds3

About 4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one

4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one (PubChem CID 116979888) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one
PubChem CID116979888
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESO=C1NC(c2ccccc2Br)CN1CCS
InChIInChI=1S/C11H13BrN2OS/c12-9-4-2-1-3-8(9)10-7-14(5-6-16)11(15)13-10/h1-4,10,16H,5-7H2,(H,13,15)
InChIKeyWQSUFAINWKWMQE-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 76971755
(4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one
CID 155543700
Ompi
CID 135446
(3S)-3-[(2-bromo-5-fluorophenyl)methylamino]-N-ethylpyrrolidine-1-carboxamide
CID 97102262
5-(4-Fluorophenyl)-1-(4-sulfanylbutyl)imidazolidin-2-one
CID 13604354
1-[(3-Bromo-2-fluorophenyl)methyl]imidazolidin-2-one
CID 172388184
(4R)-4-(4-bromophenyl)-1-methylimidazolidin-2-one
CID 162419401
3-[(2-Bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 51309970
1-[2-[(2-Bromo-5-fluorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 54902654
1-[2-[(5-Bromo-2-fluorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 61299664
1-[(2-Bromo-5-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
CID 65998278
1-[(2-Bromo-4-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
CID 65998279

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one?
The IUPAC name of 4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one (CID 116979888) is 4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one.
What is the SMILES notation for 4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one?
The canonical SMILES for 4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one is O=C1NC(c2ccccc2Br)CN1CCS.
What is the InChIKey of 4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one?
The InChIKey is WQSUFAINWKWMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c12-9-4-2-1-3-8(9)10-7-14(5-6-16)11(15)13-10/h1-4,10,16H,5-7H2,(H,13,15).
What are the key properties of 4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one?
4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one has a molecular weight of 301.21 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one is sourced from PubChem (CID 116979888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).