6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione

C13H8Cl2N2S — CID 43659314

IUPAC6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione
SMILESS=c1[nH]c2cc(Cl)ccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2N2S/c14-8-1-4-10(5-2-8)17-12-6-3-9(15)7-11(12)16-13(17)18/h1-7H,(H,16,18)
InChIKeySJQJGLSQANZCIS-UHFFFAOYSA-N
MW295.19 g/mol
LogP4.99
Rot. Bonds1

About 6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione

6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione (PubChem CID 43659314) has the molecular formula C13H8Cl2N2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione
PubChem CID43659314
Molecular FormulaC13H8Cl2N2S
Molecular Weight295.19 g/mol
Exact Mass293.98
IUPAC Name6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione
SMILESS=c1[nH]c2cc(Cl)ccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2N2S/c14-8-1-4-10(5-2-8)17-12-6-3-9(15)7-11(12)16-13(17)18/h1-7H,(H,16,18)
InChIKeySJQJGLSQANZCIS-UHFFFAOYSA-N
XLogP4.99
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 54.99
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-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione (CID 43659314) is 6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione is S=c1[nH]c2cc(Cl)ccc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione?
The InChIKey is SJQJGLSQANZCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2S/c14-8-1-4-10(5-2-8)17-12-6-3-9(15)7-11(12)16-13(17)18/h1-7H,(H,16,18).
What are the key properties of 6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione?
6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione has a molecular weight of 295.19 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 43659314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).