5,6-dichloro-1,3-dihydrobenzimidazole-2-thione

C7H4Cl2N2S — CID 2774259

IUPAC5,6-dichloro-1,3-dihydrobenzimidazole-2-thione
SMILESS=c1[nH]c2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C7H4Cl2N2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKeyAFDOMGKBKBKUHB-UHFFFAOYSA-N
MW219.10 g/mol
LogP3.53
Rot. Bonds

About 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione

5,6-dichloro-1,3-dihydrobenzimidazole-2-thione (PubChem CID 2774259) has the molecular formula C7H4Cl2N2S and a molecular weight of 219.10 g/mol. Its IUPAC name is 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5,6-dichloro-1,3-dihydrobenzimidazole-2-thione
PubChem CID2774259
Molecular FormulaC7H4Cl2N2S
Molecular Weight219.10 g/mol
Exact Mass217.95
IUPAC Name5,6-dichloro-1,3-dihydrobenzimidazole-2-thione
SMILESS=c1[nH]c2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C7H4Cl2N2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKeyAFDOMGKBKBKUHB-UHFFFAOYSA-N
XLogP3.53
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Benzimidazolinethione, 5-chloro-
CID 2056429
6-Chloro-5-fluorobenzimidazole-2-thiol
CID 1268248
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CID 710776
5-chloro-1,3-dihydro-2H-benzimidazol-2-one
CID 223131
5-chloro-1-ethyl-1H-benzimidazole-2-thiol
CID 2744238
5-chloro-1-methyl-1H-benzo[d]imidazole-2-thiol
CID 10442740
5,6-Dichloro-1-methyl-1,3-dihydro-2H-benzimidazole-2-thione
CID 3414285
5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol
CID 4868379
6-chloro-1-methyl-1H-benzo[d]imidazole-2-thiol
CID 44422596
N-(3,4-dichlorophenyl)pyrrolidine-1-carbothioamide
CID 773293
5-chloro-1-isopropyl-1H-benzo[d]imidazole-2-thiol
CID 2735746
5-Chloro-1,3-dihydro-1-(2-methylpropyl)-2H-benzimidazole-2-thione
CID 4961793

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione (CID 2774259) is 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione is S=c1[nH]c2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is AFDOMGKBKBKUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12).
What are the key properties of 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione?
5,6-dichloro-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 219.10 g/mol, XLogP of 3.53, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 2774259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).