3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

C11H8F3N3O3 — CID 82790528

IUPAC3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
SMILESNC(=O)Cn1c(C(F)(F)F)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C11H8F3N3O3/c12-11(13,14)10-16-6-2-1-5(9(19)20)3-7(6)17(10)4-8(15)18/h1-3H,4H2,(H2,15,18)(H,19,20)
InChIKeySDCJNKBZTJPPNN-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.24
Rot. Bonds3

About 3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid (PubChem CID 82790528) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
PubChem CID82790528
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Name3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
SMILESNC(=O)Cn1c(C(F)(F)F)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C11H8F3N3O3/c12-11(13,14)10-16-6-2-1-5(9(19)20)3-7(6)17(10)4-8(15)18/h1-3H,4H2,(H2,15,18)(H,19,20)
InChIKeySDCJNKBZTJPPNN-UHFFFAOYSA-N
XLogP1.24
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid (CID 82790528) is 3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid is NC(=O)Cn1c(C(F)(F)F)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The InChIKey is SDCJNKBZTJPPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c12-11(13,14)10-16-6-2-1-5(9(19)20)3-7(6)17(10)4-8(15)18/h1-3H,4H2,(H2,15,18)(H,19,20).
What are the key properties of 3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid has a molecular weight of 287.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).