2-propyl-1H-imidazole;trifluoromethanesulfonamide

C7H12F3N3O2S — CID 67058160

IUPAC2-propyl-1H-imidazole;trifluoromethanesulfonamide
SMILESCCCc1ncc[nH]1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10N2.CH2F3NO2S/c1-2-3-6-7-4-5-8-6;2-1(3,4)8(5,6)7/h4-5H,2-3H2,1H3,(H,7,8);(H2,5,6,7)
InChIKeyXLJRRCBDZVFZKK-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.16
Rot. Bonds2

About 2-propyl-1H-imidazole;trifluoromethanesulfonamide

2-propyl-1H-imidazole;trifluoromethanesulfonamide (PubChem CID 67058160) has the molecular formula C7H12F3N3O2S and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-propyl-1H-imidazole;trifluoromethanesulfonamide.

Molecular Properties

Compound Name2-propyl-1H-imidazole;trifluoromethanesulfonamide
PubChem CID67058160
Molecular FormulaC7H12F3N3O2S
Molecular Weight259.25 g/mol
Exact Mass259.06
IUPAC Name2-propyl-1H-imidazole;trifluoromethanesulfonamide
SMILESCCCc1ncc[nH]1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10N2.CH2F3NO2S/c1-2-3-6-7-4-5-8-6;2-1(3,4)8(5,6)7/h4-5H,2-3H2,1H3,(H,7,8);(H2,5,6,7)
InChIKeyXLJRRCBDZVFZKK-UHFFFAOYSA-N
XLogP1.16
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-imidazole;trifluoromethanesulfonamide?
The IUPAC name of 2-propyl-1H-imidazole;trifluoromethanesulfonamide (CID 67058160) is 2-propyl-1H-imidazole;trifluoromethanesulfonamide.
What is the SMILES notation for 2-propyl-1H-imidazole;trifluoromethanesulfonamide?
The canonical SMILES for 2-propyl-1H-imidazole;trifluoromethanesulfonamide is CCCc1ncc[nH]1.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-propyl-1H-imidazole;trifluoromethanesulfonamide?
The InChIKey is XLJRRCBDZVFZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.CH2F3NO2S/c1-2-3-6-7-4-5-8-6;2-1(3,4)8(5,6)7/h4-5H,2-3H2,1H3,(H,7,8);(H2,5,6,7).
What are the key properties of 2-propyl-1H-imidazole;trifluoromethanesulfonamide?
2-propyl-1H-imidazole;trifluoromethanesulfonamide has a molecular weight of 259.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-imidazole;trifluoromethanesulfonamide is sourced from PubChem (CID 67058160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).