2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid

C11H9F3N2O2 — CID 43244294

IUPAC2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1CC(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c1-6-15-8-4-7(10(17)18)2-3-9(8)16(6)5-11(12,13)14/h2-4H,5H2,1H3,(H,17,18)
InChIKeyFXZIXZKGHOREOM-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.61
Rot. Bonds2

About 2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid

2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid (PubChem CID 43244294) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
PubChem CID43244294
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1CC(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c1-6-15-8-4-7(10(17)18)2-3-9(8)16(6)5-11(12,13)14/h2-4H,5H2,1H3,(H,17,18)
InChIKeyFXZIXZKGHOREOM-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-prop-2-enylbenzimidazole-5-carboxylic acid
CID 83967706
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 79361798
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 63830134
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106376021
1-[(3-chloro-4-methylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 143827990
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
1,2-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 87956901
2-methyl-3-(5,5,5-trifluoropentyl)benzimidazole-5-carboxylic acid
CID 82774842
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole-5-carboxylic acid
CID 62118686
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid (CID 43244294) is 2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1CC(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid?
The InChIKey is FXZIXZKGHOREOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-6-15-8-4-7(10(17)18)2-3-9(8)16(6)5-11(12,13)14/h2-4H,5H2,1H3,(H,17,18).
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid?
2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid has a molecular weight of 258.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 43244294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).