2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole

C7H11BrN2S — CID 117191605

IUPAC2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole
SMILESCC(C)SCc1cnc(Br)[nH]1
InChIInChI=1S/C7H11BrN2S/c1-5(2)11-4-6-3-9-7(8)10-6/h3,5H,4H2,1-2H3,(H,9,10)
InChIKeyWGNOPSDOGLQFGD-UHFFFAOYSA-N
MW235.15 g/mol
LogP2.81
Rot. Bonds3

About 2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole

2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole (PubChem CID 117191605) has the molecular formula C7H11BrN2S and a molecular weight of 235.15 g/mol. Its IUPAC name is 2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole.

Molecular Properties

Compound Name2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole
PubChem CID117191605
Molecular FormulaC7H11BrN2S
Molecular Weight235.15 g/mol
Exact Mass233.98
IUPAC Name2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole
SMILESCC(C)SCc1cnc(Br)[nH]1
InChIInChI=1S/C7H11BrN2S/c1-5(2)11-4-6-3-9-7(8)10-6/h3,5H,4H2,1-2H3,(H,9,10)
InChIKeyWGNOPSDOGLQFGD-UHFFFAOYSA-N
XLogP2.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole
CID 117188294
5-bromo-2-propan-2-ylsulfanyl-1H-imidazole
CID 117189579
(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol
CID 100726062
5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazole
CID 146611775
2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-6-thione
CID 106476434
6-oxo-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-5-carboxylic acid
CID 65131337
2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carbaldehyde
CID 65133714
2-ethenyl-5-(2-methylpropyl)-1H-imidazole
CID 130271996
5-(propan-2-ylsulfanylmethyl)-1H-pyrazole-3-carboxylic acid
CID 117215986
5-ethyl-2-(2-methylpropyl)-1H-imidazole
CID 70669339
2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine
CID 158668941
5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole
CID 117176864

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole?
The IUPAC name of 2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole (CID 117191605) is 2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole.
What is the SMILES notation for 2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole?
The canonical SMILES for 2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole is CC(C)SCc1cnc(Br)[nH]1.
What is the InChIKey of 2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole?
The InChIKey is WGNOPSDOGLQFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2S/c1-5(2)11-4-6-3-9-7(8)10-6/h3,5H,4H2,1-2H3,(H,9,10).
What are the key properties of 2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole?
2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole has a molecular weight of 235.15 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole is sourced from PubChem (CID 117191605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).