1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate

• CAS: 245679-18-9
• Catalog Number: ACM245679189-2
• Category: Organic Phosphine Compounds
• Molecular Weight: 394.26
• Molecular Formula: C21H27BF4N2
• Synonyms: 1,3-Dimesityl-4,5-Dihydro-1H-Imidazol-3-Ium Tetrafluoroborate
• IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C3=C(C=C(C=C3C)C)C)C
• InChI: VNRDQIOMNLIVQJ-UHFFFAOYSA-N
• InChI Key: InChI=1S/C21H27N2.BF4/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2-1(3,4)5/h9-13H,7-8H2,1-6H3;/q+1;-1
• Melting Point: 290-296 °C
• Appearance: Off-white powder
• Complexity: 398
• Covalently-Bonded Unit Count: 2
• Exact Mass: 394.22g/mol
• H-Bond Acceptor: 5
• Heavy Atom Count: 28
• Isomeric SMILES: [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C3=C(C=C(C=C3C)C)C)C
• Monoisotopic Mass: 394.22g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 6.2A^2

Custom Q&A

What is the molecular formula of 1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The molecular formula is C21H27BF4N2.

What is the molecular weight of 1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The molecular weight is 394.3 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;tetrafluoroborate.

What is the InChIKey of 1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The InChIKey is VNRDQIOMNLIVQJ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

What is the exact mass of 1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The exact mass is 394.2203417 g/mol.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 6.2 Ų.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.