1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid

C16H11F3N2O2 — CID 71044558

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-4-2-1-3-11(12)8-21-9-20-13-7-10(15(22)23)5-6-14(13)21/h1-7,9H,8H2,(H,22,23)
InChIKeyMLWIFKCWIWZTSA-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.80
Rot. Bonds3

About 1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid

1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid (PubChem CID 71044558) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
PubChem CID71044558
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-4-2-1-3-11(12)8-21-9-20-13-7-10(15(22)23)5-6-14(13)21/h1-7,9H,8H2,(H,22,23)
InChIKeyMLWIFKCWIWZTSA-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(trifluoromethyl)phenyl]methyl]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 1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid (CID 71044558) is 1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid?
The InChIKey is MLWIFKCWIWZTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)12-4-2-1-3-11(12)8-21-9-20-13-7-10(15(22)23)5-6-14(13)21/h1-7,9H,8H2,(H,22,23).
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid?
1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid has a molecular weight of 320.27 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 71044558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).