5,6-dichloro-2-methylsulfanyl-1H-benzimidazole

C8H6Cl2N2S — CID 608104

IUPAC5,6-dichloro-2-methylsulfanyl-1H-benzimidazole
SMILESCSc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C8H6Cl2N2S/c1-13-8-11-6-2-4(9)5(10)3-7(6)12-8/h2-3H,1H3,(H,11,12)
InChIKeyOBYWDNBOQUIKNW-UHFFFAOYSA-N
MW233.12 g/mol
LogP3.59
Rot. Bonds1

About 5,6-dichloro-2-methylsulfanyl-1H-benzimidazole

5,6-dichloro-2-methylsulfanyl-1H-benzimidazole (PubChem CID 608104) has the molecular formula C8H6Cl2N2S and a molecular weight of 233.12 g/mol. Its IUPAC name is 5,6-dichloro-2-methylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-methylsulfanyl-1H-benzimidazole
PubChem CID608104
Molecular FormulaC8H6Cl2N2S
Molecular Weight233.12 g/mol
Exact Mass231.96
IUPAC Name5,6-dichloro-2-methylsulfanyl-1H-benzimidazole
SMILESCSc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C8H6Cl2N2S/c1-13-8-11-6-2-4(9)5(10)3-7(6)12-8/h2-3H,1H3,(H,11,12)
InChIKeyOBYWDNBOQUIKNW-UHFFFAOYSA-N
XLogP3.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-methylsulfanyl-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-methylsulfanyl-1H-benzimidazole (CID 608104) is 5,6-dichloro-2-methylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-methylsulfanyl-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-methylsulfanyl-1H-benzimidazole is CSc1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-methylsulfanyl-1H-benzimidazole?
The InChIKey is OBYWDNBOQUIKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2S/c1-13-8-11-6-2-4(9)5(10)3-7(6)12-8/h2-3H,1H3,(H,11,12).
What are the key properties of 5,6-dichloro-2-methylsulfanyl-1H-benzimidazole?
5,6-dichloro-2-methylsulfanyl-1H-benzimidazole has a molecular weight of 233.12 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-methylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 608104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).