2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid

C11H7F5N2O2 — CID 43248585

IUPAC2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(C(F)(F)C(F)(F)F)nc2ccccc21
InChIInChI=1S/C11H7F5N2O2/c12-10(13,11(14,15)16)9-17-6-3-1-2-4-7(6)18(9)5-8(19)20/h1-4H,5H2,(H,19,20)
InChIKeyNLIHFSCTFHDBLG-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.78
Rot. Bonds3

About 2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid

2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid (PubChem CID 43248585) has the molecular formula C11H7F5N2O2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid
PubChem CID43248585
Molecular FormulaC11H7F5N2O2
Molecular Weight294.18 g/mol
Exact Mass294.04
IUPAC Name2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(C(F)(F)C(F)(F)F)nc2ccccc21
InChIInChI=1S/C11H7F5N2O2/c12-10(13,11(14,15)16)9-17-6-3-1-2-4-7(6)18(9)5-8(19)20/h1-4H,5H2,(H,19,20)
InChIKeyNLIHFSCTFHDBLG-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole
CID 154377012
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
2-(2-hydrazinylbenzimidazol-1-yl)acetic acid
CID 2773162
2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid
CID 115144077
N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171
2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
(2S)-3-methyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]butanoic acid
CID 119360208
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid (CID 43248585) is 2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(C(F)(F)C(F)(F)F)nc2ccccc21.
What is the InChIKey of 2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid?
The InChIKey is NLIHFSCTFHDBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2O2/c12-10(13,11(14,15)16)9-17-6-3-1-2-4-7(6)18(9)5-8(19)20/h1-4H,5H2,(H,19,20).
What are the key properties of 2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid?
2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid has a molecular weight of 294.18 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 43248585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).