(5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite

C7H3F2IN2S — CID 155081912

IUPAC(5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite
SMILESFc1cc2nc(SI)[nH]c2cc1F
InChIInChI=1S/C7H3F2IN2S/c8-3-1-5-6(2-4(3)9)12-7(11-5)13-10/h1-2H,(H,11,12)
InChIKeyVPFWMWBBTHCXLK-UHFFFAOYSA-N
MW312.08 g/mol
LogP3.28
Rot. Bonds1

About (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite

(5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite (PubChem CID 155081912) has the molecular formula C7H3F2IN2S and a molecular weight of 312.08 g/mol. Its IUPAC name is (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite.

Molecular Properties

Compound Name(5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite
PubChem CID155081912
Molecular FormulaC7H3F2IN2S
Molecular Weight312.08 g/mol
Exact Mass311.90
IUPAC Name(5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite
SMILESFc1cc2nc(SI)[nH]c2cc1F
InChIInChI=1S/C7H3F2IN2S/c8-3-1-5-6(2-4(3)9)12-7(11-5)13-10/h1-2H,(H,11,12)
InChIKeyVPFWMWBBTHCXLK-UHFFFAOYSA-N
XLogP3.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-difluoro-2-prop-2-ynylsulfanyl-1H-benzimidazole
CID 84616894
2-benzylsulfanyl-5,6-difluoro-1H-benzimidazole
CID 52558968
3-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanenitrile
CID 33361420
3-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 84616870
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
2-[(2,3-difluorophenyl)methylsulfanyl]-5,6-difluoro-1H-benzimidazole
CID 52559013
5,6-difluoro-2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole
CID 11522249
5,6-difluoro-N-methyl-1H-benzimidazol-2-amine
CID 175083308
5,6-difluoro-2-[(1-methylimidazol-2-yl)methylsulfanyl]-1H-benzimidazole
CID 47364837
2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole
CID 34382170
5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole
CID 65100266
5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 118428722

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite?
The IUPAC name of (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite (CID 155081912) is (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite.
What is the SMILES notation for (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite?
The canonical SMILES for (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite is Fc1cc2nc(SI)[nH]c2cc1F.
What is the InChIKey of (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite?
The InChIKey is VPFWMWBBTHCXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2S/c8-3-1-5-6(2-4(3)9)12-7(11-5)13-10/h1-2H,(H,11,12).
What are the key properties of (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite?
(5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite has a molecular weight of 312.08 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite is sourced from PubChem (CID 155081912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).