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

Catalog Number	ACM258278250-1
CAS	258278-25-0
Structure
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
Molecular Weight	429.08
Molecular Formula	C27H41ClN2
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
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

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.