3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

C12H11F3N2O2 — CID 82791370

IUPAC3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
SMILESCC(C)n1c(C(F)(F)F)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C12H11F3N2O2/c1-6(2)17-9-5-7(10(18)19)3-4-8(9)16-11(17)12(13,14)15/h3-6H,1-2H3,(H,18,19)
InChIKeyIUSKXOPMXDVATJ-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.33
Rot. Bonds2

About 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid (PubChem CID 82791370) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
PubChem CID82791370
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
SMILESCC(C)n1c(C(F)(F)F)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C12H11F3N2O2/c1-6(2)17-9-5-7(10(18)19)3-4-8(9)16-11(17)12(13,14)15/h3-6H,1-2H3,(H,18,19)
InChIKeyIUSKXOPMXDVATJ-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid 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 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid (CID 82791370) is 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid is CC(C)n1c(C(F)(F)F)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The InChIKey is IUSKXOPMXDVATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-6(2)17-9-5-7(10(18)19)3-4-8(9)16-11(17)12(13,14)15/h3-6H,1-2H3,(H,18,19).
What are the key properties of 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid has a molecular weight of 272.23 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82791370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).