6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole

C11H13BrN2S — CID 104574519

IUPAC6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole
SMILESCSCCc1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C11H13BrN2S/c1-7-5-8(12)6-9-11(7)14-10(13-9)3-4-15-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyPXIJBNDGHCVKSI-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.54
Rot. Bonds3

About 6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole

6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole (PubChem CID 104574519) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole
PubChem CID104574519
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC Name6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole
SMILESCSCCc1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C11H13BrN2S/c1-7-5-8(12)6-9-11(7)14-10(13-9)3-4-15-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyPXIJBNDGHCVKSI-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole (CID 104574519) is 6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole is CSCCc1nc2c(C)cc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole?
The InChIKey is PXIJBNDGHCVKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c1-7-5-8(12)6-9-11(7)14-10(13-9)3-4-15-2/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole?
6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole has a molecular weight of 285.21 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole is sourced from PubChem (CID 104574519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).