4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one

C12H15BrN2OS — CID 116982256

IUPAC4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESCN1C(=O)N(CCS)CC1c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2OS/c1-14-11(8-15(5-6-17)12(14)16)9-3-2-4-10(13)7-9/h2-4,7,11,17H,5-6,8H2,1H3
InChIKeyQDLRLDKNZUFKEO-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.79
Rot. Bonds3

About 4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one

4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one (PubChem CID 116982256) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
PubChem CID116982256
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESCN1C(=O)N(CCS)CC1c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2OS/c1-14-11(8-15(5-6-17)12(14)16)9-3-2-4-10(13)7-9/h2-4,7,11,17H,5-6,8H2,1H3
InChIKeyQDLRLDKNZUFKEO-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The IUPAC name of 4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one (CID 116982256) is 4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one.
What is the SMILES notation for 4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The canonical SMILES for 4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one is CN1C(=O)N(CCS)CC1c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The InChIKey is QDLRLDKNZUFKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-14-11(8-15(5-6-17)12(14)16)9-3-2-4-10(13)7-9/h2-4,7,11,17H,5-6,8H2,1H3.
What are the key properties of 4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one?
4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one has a molecular weight of 315.24 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one is sourced from PubChem (CID 116982256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).