1-(2,4,6-Trimethylphenyl)-2-(dicyclohexylphosphino)imidazole

Catalog Number	ACM794527143-1
CAS	794527-14-3
Structure
Synonyms	2-(Dicyclohexylphosphino)-1-(2,4,6-Trimethyl-Phenyl)-1H-Imidazole
IUPAC Name	dicyclohexyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane
Molecular Weight	382.52
Molecular Formula	C24H35N2P
InChI	ZRVANNJGPCSNAH-UHFFFAOYSA-N
InChI Key	InChI=1S/C24H35N2P/c1-18-16-19(2)23(20(3)17-18)26-15-14-25-24(26)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h14-17,21-22H,4-13H2,1-3H3
Boiling Point	538.2±60.0 °C(Predicted)
Melting Point	109 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CC1=CC(=C(C(=C1)C)N2C=CN=C2P(C3CCCCC3)C4CCCCC4)C
pKa	4.30±0.10(Predicted)
Type	cataCXium

Q&A

What is the CAS number of the compound 1-(2,4,6-Trimethylphenyl)-2-(dicyclohexylphosphino)imidazole?

The CAS number is 794527-14-3.

What is the Canonical SMILES of 1-(2,4,6-Trimethylphenyl)-2-(dicyclohexylphosphino)imidazole?

The Canonical SMILES is CC1=CC(=C(C(=C1)C)N2C=CN=C2P(C3CCCCC3)C4CCCCC4)C.

How many Heavy Atoms are present in the compound?

There are 27 Heavy Atoms.

What is the XLogP3 value of 1-(2,4,6-Trimethylphenyl)-2-(dicyclohexylphosphino)imidazole?

The XLogP3 value is 6.3.

What is the IUPAC Name of the compound?

The IUPAC Name is dicyclohexyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane.

What is the Molecular Formula of 1-(2,4,6-Trimethylphenyl)-2-(dicyclohexylphosphino)imidazole?

The Molecular Formula is C24H35N2P.

What is the Monoisotopic Mass of the compound?

The Monoisotopic Mass is 382.25378612.

What is the InChIKey of 1-(2,4,6-Trimethylphenyl)-2-(dicyclohexylphosphino)imidazole?

The InChIKey is ZRVANNJGPCSNAH-UHFFFAOYSA-N.

What is the Computed Properties Rotatable Bond Count of the compound?

The Computed Properties Rotatable Bond Count is 4.

What are some Depositor-Supplied Synonyms of 1-(2,4,6-Trimethylphenyl)-2-(dicyclohexylphosphino)imidazole?

Some Depositor-Supplied Synonyms include 2-(Dicyclohexylphosphino)-1-mesityl-1H-imidazole and DTXSID00696508.