1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

C11H10F3N3O2 — CID 83019939

IUPAC1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
SMILESCN(C)n1c(C(F)(F)F)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H10F3N3O2/c1-16(2)17-8-4-3-6(9(18)19)5-7(8)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,18,19)
InChIKeyAGKMEAIUJKJKGQ-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.95
Rot. Bonds2

About 1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid (PubChem CID 83019939) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
PubChem CID83019939
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
SMILESCN(C)n1c(C(F)(F)F)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H10F3N3O2/c1-16(2)17-8-4-3-6(9(18)19)5-7(8)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,18,19)
InChIKeyAGKMEAIUJKJKGQ-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 115408209
3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82791370
3-(1-hydroxypropan-2-yl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82790939
2-[1-(dimethylamino)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 83018564
2-methyl-2-[6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propanoic acid
CID 94748801
2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
CID 43244294
3-(3-methylbutyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82768907
N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 58646263
3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82790528
2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid
CID 106217017
1-methyl-2-[[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid
CID 155083643
1-tert-butyl-2-cyclopropylbenzimidazole-5-carboxylic acid
CID 43322785

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid (CID 83019939) is 1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid is CN(C)n1c(C(F)(F)F)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The InChIKey is AGKMEAIUJKJKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-16(2)17-8-4-3-6(9(18)19)5-7(8)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,18,19).
What are the key properties of 1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid has a molecular weight of 273.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 83019939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).