2-methyl-2-(trifluoromethyl)benzimidazole

C9H7F3N2 — CID 142719810

IUPAC2-methyl-2-(trifluoromethyl)benzimidazole
SMILESCC1(C(F)(F)F)N=c2ccccc2=N1
InChIInChI=1S/C9H7F3N2/c1-8(9(10,11)12)13-6-4-2-3-5-7(6)14-8/h2-5H,1H3
InChIKeyVHZBVCHZJYOLLA-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.22
Rot. Bonds

About 2-methyl-2-(trifluoromethyl)benzimidazole

2-methyl-2-(trifluoromethyl)benzimidazole (PubChem CID 142719810) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)benzimidazole
PubChem CID142719810
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name2-methyl-2-(trifluoromethyl)benzimidazole
SMILESCC1(C(F)(F)F)N=c2ccccc2=N1
InChIInChI=1S/C9H7F3N2/c1-8(9(10,11)12)13-6-4-2-3-5-7(6)14-8/h2-5H,1H3
InChIKeyVHZBVCHZJYOLLA-UHFFFAOYSA-N
XLogP1.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-methyl-2-(trifluoromethyl)benzimidazole (CID 142719810) is 2-methyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)benzimidazole is CC1(C(F)(F)F)N=c2ccccc2=N1.
What is the InChIKey of 2-methyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is VHZBVCHZJYOLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-8(9(10,11)12)13-6-4-2-3-5-7(6)14-8/h2-5H,1H3.
What are the key properties of 2-methyl-2-(trifluoromethyl)benzimidazole?
2-methyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 200.16 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 142719810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).