5-bromo-2-propan-2-ylsulfanyl-1H-imidazole

C6H9BrN2S — CID 117189579

IUPAC5-bromo-2-propan-2-ylsulfanyl-1H-imidazole
SMILESCC(C)Sc1ncc(Br)[nH]1
InChIInChI=1S/C6H9BrN2S/c1-4(2)10-6-8-3-5(7)9-6/h3-4H,1-2H3,(H,8,9)
InChIKeyFJYICTZGOGOLNQ-UHFFFAOYSA-N
MW221.12 g/mol
LogP2.67
Rot. Bonds2

About 5-bromo-2-propan-2-ylsulfanyl-1H-imidazole

5-bromo-2-propan-2-ylsulfanyl-1H-imidazole (PubChem CID 117189579) has the molecular formula C6H9BrN2S and a molecular weight of 221.12 g/mol. Its IUPAC name is 5-bromo-2-propan-2-ylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-propan-2-ylsulfanyl-1H-imidazole
PubChem CID117189579
Molecular FormulaC6H9BrN2S
Molecular Weight221.12 g/mol
Exact Mass219.97
IUPAC Name5-bromo-2-propan-2-ylsulfanyl-1H-imidazole
SMILESCC(C)Sc1ncc(Br)[nH]1
InChIInChI=1S/C6H9BrN2S/c1-4(2)10-6-8-3-5(7)9-6/h3-4H,1-2H3,(H,8,9)
InChIKeyFJYICTZGOGOLNQ-UHFFFAOYSA-N
XLogP2.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 18934579
1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
CID 83881752
5-bromo-2-(ethylsulfanylmethyl)-1H-imidazole
CID 117187407
2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole
CID 117191605
5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole
CID 117259218
2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
CID 116835015
5-bromo-2-fluoro-1H-imidazole
CID 170897575
4-propan-2-ylsulfanyl-1,2-dihydrotriazete
CID 134527708
N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine
CID 123282366
1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine
CID 126983139
5-bromo-2-(4-methylphenyl)-1H-imidazole
CID 117259266
3-bromo-5-propan-2-ylsulfanylpyridine
CID 18433345

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-ylsulfanyl-1H-imidazole?
The IUPAC name of 5-bromo-2-propan-2-ylsulfanyl-1H-imidazole (CID 117189579) is 5-bromo-2-propan-2-ylsulfanyl-1H-imidazole.
What is the SMILES notation for 5-bromo-2-propan-2-ylsulfanyl-1H-imidazole?
The canonical SMILES for 5-bromo-2-propan-2-ylsulfanyl-1H-imidazole is CC(C)Sc1ncc(Br)[nH]1.
What is the InChIKey of 5-bromo-2-propan-2-ylsulfanyl-1H-imidazole?
The InChIKey is FJYICTZGOGOLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2S/c1-4(2)10-6-8-3-5(7)9-6/h3-4H,1-2H3,(H,8,9).
What are the key properties of 5-bromo-2-propan-2-ylsulfanyl-1H-imidazole?
5-bromo-2-propan-2-ylsulfanyl-1H-imidazole has a molecular weight of 221.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-ylsulfanyl-1H-imidazole is sourced from PubChem (CID 117189579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).