2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole

C9H9F3N2 — CID 71350606

IUPAC2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
SMILESCC1(C(F)(F)F)Nc2ccccc2N1
InChIInChI=1S/C9H9F3N2/c1-8(9(10,11)12)13-6-4-2-3-5-7(6)14-8/h2-5,13-14H,1H3
InChIKeyVEEGTLJYYNMJPG-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.80
Rot. Bonds

About 2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole

2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole (PubChem CID 71350606) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
PubChem CID71350606
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
SMILESCC1(C(F)(F)F)Nc2ccccc2N1
InChIInChI=1S/C9H9F3N2/c1-8(9(10,11)12)13-6-4-2-3-5-7(6)14-8/h2-5,13-14H,1H3
InChIKeyVEEGTLJYYNMJPG-UHFFFAOYSA-N
XLogP2.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
The IUPAC name of 2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole (CID 71350606) is 2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole.
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole is CC1(C(F)(F)F)Nc2ccccc2N1.
What is the InChIKey of 2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
The InChIKey is VEEGTLJYYNMJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-8(9(10,11)12)13-6-4-2-3-5-7(6)14-8/h2-5,13-14H,1H3.
What are the key properties of 2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole has a molecular weight of 202.18 g/mol, XLogP of 2.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole is sourced from PubChem (CID 71350606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).