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

C16H13F3N2 — CID 81455089

IUPAC2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCc1cc(C)cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C16H13F3N2/c1-9-5-10(2)7-11(6-9)15-20-13-4-3-12(16(17,18)19)8-14(13)21-15/h3-8H,1-2H3,(H,20,21)
InChIKeyWMWJRVKXNVUFGV-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.87
Rot. Bonds1

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

2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81455089) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81455089
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCc1cc(C)cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C16H13F3N2/c1-9-5-10(2)7-11(6-9)15-20-13-4-3-12(16(17,18)19)8-14(13)21-15/h3-8H,1-2H3,(H,20,21)
InChIKeyWMWJRVKXNVUFGV-UHFFFAOYSA-N
XLogP4.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455824
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 104786107
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 103222495
2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol
CID 135616944

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 81455089) is 2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole is Cc1cc(C)cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is WMWJRVKXNVUFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c1-9-5-10(2)7-11(6-9)15-20-13-4-3-12(16(17,18)19)8-14(13)21-15/h3-8H,1-2H3,(H,20,21).
What are the key properties of 2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 290.29 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81455089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).