6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione

C11H7BrF4N2S — CID 106215196

IUPAC6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione
SMILESFc1cc2c(cc1Br)[nH]c(=S)n2C1(C(F)(F)F)CC1
InChIInChI=1S/C11H7BrF4N2S/c12-5-3-7-8(4-6(5)13)18(9(19)17-7)10(1-2-10)11(14,15)16/h3-4H,1-2H2,(H,17,19)
InChIKeySWULIRMDZROCOG-UHFFFAOYSA-N
MW355.15 g/mol
LogP4.65
Rot. Bonds1

About 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione

6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione (PubChem CID 106215196) has the molecular formula C11H7BrF4N2S and a molecular weight of 355.15 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione
PubChem CID106215196
Molecular FormulaC11H7BrF4N2S
Molecular Weight355.15 g/mol
Exact Mass353.94
IUPAC Name6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione
SMILESFc1cc2c(cc1Br)[nH]c(=S)n2C1(C(F)(F)F)CC1
InChIInChI=1S/C11H7BrF4N2S/c12-5-3-7-8(4-6(5)13)18(9(19)17-7)10(1-2-10)11(14,15)16/h3-4H,1-2H2,(H,17,19)
InChIKeySWULIRMDZROCOG-UHFFFAOYSA-N
XLogP4.65
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione 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

6-bromo-3-(cyclopropylmethyl)-5-fluoro-1H-benzimidazole-2-thione
CID 66088393
6-bromo-5-fluoro-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione
CID 79363183
6-bromo-5-fluoro-3-(3-methylbut-2-enyl)-1H-benzimidazole-2-thione
CID 106184945
6-bromo-3-(4-chlorophenyl)-5-fluoro-1H-benzimidazole-2-thione
CID 66086076
6-bromo-5-fluoro-3-[(2-methylthiolan-2-yl)methyl]-1H-benzimidazole-2-thione
CID 80725028
6-bromo-3-cyclohexyl-5-fluoro-1H-benzimidazole-2-thione
CID 66087816
5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216982
6-bromo-5-fluoro-3-morpholin-4-yl-1H-benzimidazole-2-thione
CID 83017954
6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione
CID 66088395
6-bromo-3-(2,6-difluorophenyl)-5-fluoro-1H-benzimidazole-2-thione
CID 66088010
6-bromo-3-(3,4-dimethylcyclohexyl)-5-fluoro-1H-benzimidazole-2-thione
CID 66087455
5-bromo-6-fluoro-3-(4-hydroxycyclohexyl)-1H-benzimidazole-2-thione
CID 104966779

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione?
The IUPAC name of 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione (CID 106215196) is 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione is Fc1cc2c(cc1Br)[nH]c(=S)n2C1(C(F)(F)F)CC1.
What is the InChIKey of 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione?
The InChIKey is SWULIRMDZROCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF4N2S/c12-5-3-7-8(4-6(5)13)18(9(19)17-7)10(1-2-10)11(14,15)16/h3-4H,1-2H2,(H,17,19).
What are the key properties of 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione?
6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione has a molecular weight of 355.15 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 106215196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).