6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione

C11H11BrN2S — CID 62409952

IUPAC6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione
SMILESCC1CC1n1c(=S)[nH]c2cc(Br)ccc21
InChIInChI=1S/C11H11BrN2S/c1-6-4-10(6)14-9-3-2-7(12)5-8(9)13-11(14)15/h2-3,5-6,10H,4H2,1H3,(H,13,15)
InChIKeyVSLXHDUZOZGITD-UHFFFAOYSA-N
MW283.19 g/mol
LogP4.04
Rot. Bonds1

About 6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione

6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione (PubChem CID 62409952) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione
PubChem CID62409952
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione
SMILESCC1CC1n1c(=S)[nH]c2cc(Br)ccc21
InChIInChI=1S/C11H11BrN2S/c1-6-4-10(6)14-9-3-2-7(12)5-8(9)13-11(14)15/h2-3,5-6,10H,4H2,1H3,(H,13,15)
InChIKeyVSLXHDUZOZGITD-UHFFFAOYSA-N
XLogP4.04
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione (CID 62409952) is 6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione is CC1CC1n1c(=S)[nH]c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione?
The InChIKey is VSLXHDUZOZGITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-6-4-10(6)14-9-3-2-7(12)5-8(9)13-11(14)15/h2-3,5-6,10H,4H2,1H3,(H,13,15).
What are the key properties of 6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione?
6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione has a molecular weight of 283.19 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 62409952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).