6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole

C10H11BrN2S — CID 740253

IUPAC6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole
SMILESCC(C)Sc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C10H11BrN2S/c1-6(2)14-10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyZPRSDAXDIJBDPU-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.83
Rot. Bonds2

About 6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole

6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole (PubChem CID 740253) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole
PubChem CID740253
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole
SMILESCC(C)Sc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C10H11BrN2S/c1-6(2)14-10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyZPRSDAXDIJBDPU-UHFFFAOYSA-N
XLogP3.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole (CID 740253) is 6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole is CC(C)Sc1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole?
The InChIKey is ZPRSDAXDIJBDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c1-6(2)14-10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole?
6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole has a molecular weight of 271.18 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propan-2-ylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 740253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).