1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride

• CAS: 258278-25-0
• Catalog Number: ACM258278250-1
• Category: Organic Phosphine Compounds
• Molecular Weight: 429.08
• Molecular Formula: C27H41ClN2
• Synonyms: 1,3-Bis(2,6-diisopropylphenyl)imidazolidinium chloride; N,N'-(2,6-Diisopropylphenyl)dihydroimidazolium chloride
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;chloride
• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]
• InChI: LWPXTYZKAWSRIP-UHFFFAOYSA-M
• InChI Key: InChI=1S/C27H39N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-14,17-21H,15-16H2,1-8H3;1H/q+1;/p-1
• Melting Point: 289-293 °C(lit.)
• Appearance: White to yellow crystalline powder
• Application: Employed in an efficient, one-pot synthesis of N-heterocyclic carbene-allylpalladium complexes.
• Complexity: 467
• Covalently-Bonded Unit Count: 2
• Exact Mass: 426.28g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 30
• Isomeric SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]
• Monoisotopic Mass: 426.28g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 6.2A^2

Custom Q&A

What is the molecular formula of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride?

The molecular formula is C27H39ClN2.

What is the molecular weight of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride?

The molecular weight is 427.1 g/mol.

What is the IUPAC name of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride?

The IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium chloride.

What is the InChI of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride?

The InChI is InChI=1S/C27H39N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-14,17-21H,15-16H2,1-8H3;1H/q+1;/p-1.

What is the InChIKey of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride?

The InChIKey is LWPXTYZKAWSRIP-UHFFFAOYSA-M.

What is the canonical SMILES of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride?

The canonical SMILES is CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C).[Cl-].

What is the CAS number of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride?

The CAS number is 258278-25-0.

What is the EC number of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride?

The EC number is 627-991-8.

What is the hydrogen bond donor count of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride?

The hydrogen bond acceptor count is 1.