4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C7H9F6N3O4S2 — CID 175907940

IUPAC4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCc1nc[nH]c1C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H8N2.C2HF6NO4S2/c1-4-5(2)7-3-6-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3H,1-2H3,(H,6,7);9H
InChIKeyMGAUFPDWOJHMIA-UHFFFAOYSA-N
MW377.29 g/mol
LogP1.30
Rot. Bonds2

About 4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 175907940) has the molecular formula C7H9F6N3O4S2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID175907940
Molecular FormulaC7H9F6N3O4S2
Molecular Weight377.29 g/mol
Exact Mass376.99
IUPAC Name4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCc1nc[nH]c1C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H8N2.C2HF6NO4S2/c1-4-5(2)7-3-6-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3H,1-2H3,(H,6,7);9H
InChIKeyMGAUFPDWOJHMIA-UHFFFAOYSA-N
XLogP1.30
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 175907940) is 4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is Cc1nc[nH]c1C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is MGAUFPDWOJHMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2HF6NO4S2/c1-4-5(2)7-3-6-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3H,1-2H3,(H,6,7);9H.
What are the key properties of 4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 377.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 175907940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).