2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole

C13H15F3N2 — CID 177304298

IUPAC2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole
SMILESCc1cc(C(F)(F)F)c2c(c1)nc(C)n2C(C)C
InChIInChI=1S/C13H15F3N2/c1-7(2)18-9(4)17-11-6-8(3)5-10(12(11)18)13(14,15)16/h5-7H,1-4H3
InChIKeyGJKFIZOYGSTMBN-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.25
Rot. Bonds1

About 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole

2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole (PubChem CID 177304298) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole
PubChem CID177304298
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole
SMILESCc1cc(C(F)(F)F)c2c(c1)nc(C)n2C(C)C
InChIInChI=1S/C13H15F3N2/c1-7(2)18-9(4)17-11-6-8(3)5-10(12(11)18)13(14,15)16/h5-7H,1-4H3
InChIKeyGJKFIZOYGSTMBN-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole?
The IUPAC name of 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole (CID 177304298) is 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole is Cc1cc(C(F)(F)F)c2c(c1)nc(C)n2C(C)C.
What is the InChIKey of 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole?
The InChIKey is GJKFIZOYGSTMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-7(2)18-9(4)17-11-6-8(3)5-10(12(11)18)13(14,15)16/h5-7H,1-4H3.
What are the key properties of 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole?
2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole has a molecular weight of 256.27 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propan-2-yl-7-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 177304298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).