5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione

C11H11BrN2O2S — CID 167984164

IUPAC5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CSc2ccccc2Br)NC(=O)NC1=O
InChIInChI=1S/C11H11BrN2O2S/c1-11(9(15)13-10(16)14-11)6-17-8-5-3-2-4-7(8)12/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyNUGLSCNEOHWJRJ-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.14
Rot. Bonds3

About 5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione

5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 167984164) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID167984164
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CSc2ccccc2Br)NC(=O)NC1=O
InChIInChI=1S/C11H11BrN2O2S/c1-11(9(15)13-10(16)14-11)6-17-8-5-3-2-4-7(8)12/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyNUGLSCNEOHWJRJ-UHFFFAOYSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 124672916
[(1S)-1-phenylethyl] 2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzoate
CID 9358085
2-(3-bromophenoxy)ethyl 2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzoate
CID 4786068
(2-anilino-2-oxoethyl) 2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzoate
CID 8506602
N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
CID 9400622
N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 25483472
N-[(2-methoxyphenyl)methyl]-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
CID 9404800
2-[(2-bromophenyl)sulfanylmethyl]-2-methyloxirane
CID 66336590
N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
CID 42883894
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
CID 42908829
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
CID 42920164
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
CID 9490441

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione (CID 167984164) is 5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione is CC1(CSc2ccccc2Br)NC(=O)NC1=O.
What is the InChIKey of 5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NUGLSCNEOHWJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-11(9(15)13-10(16)14-11)6-17-8-5-3-2-4-7(8)12/h2-5H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione?
5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 315.19 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 167984164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).