5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione

C15H12Cl2N2S — CID 115469979

IUPAC5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione
SMILESCC(c1ccccc1Cl)n1c(=S)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C15H12Cl2N2S/c1-9(11-4-2-3-5-12(11)17)19-14-8-10(16)6-7-13(14)18-15(19)20/h2-9H,1H3,(H,18,20)
InChIKeyRVLWLLYBZSGPHW-UHFFFAOYSA-N
MW323.25 g/mol
LogP5.61
Rot. Bonds2

About 5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione

5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione (PubChem CID 115469979) has the molecular formula C15H12Cl2N2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione
PubChem CID115469979
Molecular FormulaC15H12Cl2N2S
Molecular Weight323.25 g/mol
Exact Mass322.01
IUPAC Name5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione
SMILESCC(c1ccccc1Cl)n1c(=S)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C15H12Cl2N2S/c1-9(11-4-2-3-5-12(11)17)19-14-8-10(16)6-7-13(14)18-15(19)20/h2-9H,1H3,(H,18,20)
InChIKeyRVLWLLYBZSGPHW-UHFFFAOYSA-N
XLogP5.61
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.25
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,4-dichlorophenyl)ethyl]-5-fluoro-1H-benzimidazole-2-thione
CID 63545641
3-[1-(2-chlorophenyl)ethyl]-5-fluoro-6-iodo-1H-benzimidazole-2-thione
CID 66102124
3-[1-(2-chlorophenyl)ethyl]-4,5-difluoro-1H-benzimidazole-2-thione
CID 63545663
3-[1-(2,4-dichlorophenyl)ethyl]-6-methyl-1H-benzimidazole-2-thione
CID 43659967
5-chloro-3-(1-pyrrolidin-1-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 115469962
1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295274
1-[1-(2-chlorophenyl)ethyl]-2-sulfanylidene-3H-benzimidazole-4-carbonitrile
CID 104718269
3-[1-(2,4-dichlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289627
5-chloro-3-[1-(furan-2-yl)propan-2-yl]-1H-benzimidazole-2-thione
CID 115469957
6-chloro-3-(2-propan-2-ylphenyl)-1H-benzimidazole-2-thione
CID 43659372
3-[1-(3-chlorophenyl)ethyl]-5-fluoro-6-iodo-1H-benzimidazole-2-thione
CID 66102318
5-chloro-3-phenyl-1H-benzimidazole-2-thione
CID 3061814

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione?
The IUPAC name of 5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione (CID 115469979) is 5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione is CC(c1ccccc1Cl)n1c(=S)[nH]c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione?
The InChIKey is RVLWLLYBZSGPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S/c1-9(11-4-2-3-5-12(11)17)19-14-8-10(16)6-7-13(14)18-15(19)20/h2-9H,1H3,(H,18,20).
What are the key properties of 5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione?
5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione has a molecular weight of 323.25 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-(2-chlorophenyl)ethyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 115469979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).