2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole

C12H5Cl2F3N2S — CID 107963358

IUPAC2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3cc(Cl)sc3Cl)[nH]c2c1
InChIInChI=1S/C12H5Cl2F3N2S/c13-9-4-6(10(14)20-9)11-18-7-2-1-5(12(15,16)17)3-8(7)19-11/h1-4H,(H,18,19)
InChIKeyOJBYEKFHNFPCAP-UHFFFAOYSA-N
MW337.15 g/mol
LogP5.62
Rot. Bonds1

About 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole

2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 107963358) has the molecular formula C12H5Cl2F3N2S and a molecular weight of 337.15 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID107963358
Molecular FormulaC12H5Cl2F3N2S
Molecular Weight337.15 g/mol
Exact Mass335.95
IUPAC Name2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3cc(Cl)sc3Cl)[nH]c2c1
InChIInChI=1S/C12H5Cl2F3N2S/c13-9-4-6(10(14)20-9)11-18-7-2-1-5(12(15,16)17)3-8(7)19-11/h1-4H,(H,18,19)
InChIKeyOJBYEKFHNFPCAP-UHFFFAOYSA-N
XLogP5.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.15
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole 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

2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455824
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 103222495
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol
CID 136903850
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455930
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11553265

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole (CID 107963358) is 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(-c3cc(Cl)sc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is OJBYEKFHNFPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F3N2S/c13-9-4-6(10(14)20-9)11-18-7-2-1-5(12(15,16)17)3-8(7)19-11/h1-4H,(H,18,19).
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 337.15 g/mol, XLogP of 5.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 107963358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).