2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole

C13H9F3N2S — CID 81455824

IUPAC2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)s1
InChIInChI=1S/C13H9F3N2S/c1-7-2-5-11(19-7)12-17-9-4-3-8(13(14,15)16)6-10(9)18-12/h2-6H,1H3,(H,17,18)
InChIKeyDZMQUSOHUCKDBW-UHFFFAOYSA-N
MW282.29 g/mol
LogP4.62
Rot. Bonds1

About 2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole

2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81455824) has the molecular formula C13H9F3N2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81455824
Molecular FormulaC13H9F3N2S
Molecular Weight282.29 g/mol
Exact Mass282.04
IUPAC Name2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)s1
InChIInChI=1S/C13H9F3N2S/c1-7-2-5-11(19-7)12-17-9-4-3-8(13(14,15)16)6-10(9)18-12/h2-6H,1H3,(H,17,18)
InChIKeyDZMQUSOHUCKDBW-UHFFFAOYSA-N
XLogP4.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 107963358
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 112730249

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole (CID 81455824) is 2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole is Cc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is DZMQUSOHUCKDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2S/c1-7-2-5-11(19-7)12-17-9-4-3-8(13(14,15)16)6-10(9)18-12/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 282.29 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81455824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).