1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate

C11H14F9N2P — CID 174842775

IUPAC1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate
SMILESCCN1c2ccccc2N(C)C1C(F)(F)F.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C11H13F3N2.F6P/c1-3-16-9-7-5-4-6-8(9)15(2)10(16)11(12,13)14;1-7(2,3,4,5)6/h4-7,10H,3H2,1-2H3;/q;-1/p+1
InChIKeyOEOZNKKPDDQBNT-UHFFFAOYSA-O
MW376.20 g/mol
LogP6.35
Rot. Bonds1

About 1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate

1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate (PubChem CID 174842775) has the molecular formula C11H14F9N2P and a molecular weight of 376.20 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate
PubChem CID174842775
Molecular FormulaC11H14F9N2P
Molecular Weight376.20 g/mol
Exact Mass376.08
IUPAC Name1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate
SMILESCCN1c2ccccc2N(C)C1C(F)(F)F.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C11H13F3N2.F6P/c1-3-16-9-7-5-4-6-8(9)15(2)10(16)11(12,13)14;1-7(2,3,4,5)6/h4-7,10H,3H2,1-2H3;/q;-1/p+1
InChIKeyOEOZNKKPDDQBNT-UHFFFAOYSA-O
XLogP6.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.20
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;methyl hydrogen sulfate
CID 174843150
1,3-diethyl-2-iodo-2H-benzimidazole
CID 67548155
1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid
CID 175398935
2-chloro-1,3-diethyl-2H-benzimidazole
CID 69082202
(2S)-1-ethyl-4-methyl-2-(trichloromethyl)-2H-quinoline
CID 902094
(2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 11779857
1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium
CID 144983691
1-methyl-2-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 84726258
2-ethenyl-1-ethyl-2H-quinoline
CID 130346368
5,8-diethyl-6,6a,7,12b-tetrahydroquinolino[3,4-c]quinoline
CID 3714265
1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole
CID 167159789
(3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole
CID 146293190

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate?
The IUPAC name of 1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate (CID 174842775) is 1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate.
What is the SMILES notation for 1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate?
The canonical SMILES for 1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate is CCN1c2ccccc2N(C)C1C(F)(F)F.F[P-](F)(F)(F)(F)F.[H+].
What is the InChIKey of 1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate?
The InChIKey is OEOZNKKPDDQBNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13F3N2.F6P/c1-3-16-9-7-5-4-6-8(9)15(2)10(16)11(12,13)14;1-7(2,3,4,5)6/h4-7,10H,3H2,1-2H3;/q;-1/p+1.
What are the key properties of 1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate?
1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate has a molecular weight of 376.20 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate is sourced from PubChem (CID 174842775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).