2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium

C22H27N2+ — CID 140964863

IUPAC2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
SMILESCc1ccccc1-n1c(C)c(-c2ccccc2)[n+](C)c1C(C)(C)C
InChIInChI=1S/C22H27N2/c1-16-12-10-11-15-19(16)24-17(2)20(18-13-8-7-9-14-18)23(6)21(24)22(3,4)5/h7-15H,1-6H3/q+1
InChIKeyUFKGZMNTDLUVKM-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.88
Rot. Bonds2

About 2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium

2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium (PubChem CID 140964863) has the molecular formula C22H27N2+ and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium.

Molecular Properties

Compound Name2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
PubChem CID140964863
Molecular FormulaC22H27N2+
Molecular Weight319.47 g/mol
Exact Mass319.22
IUPAC Name2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
SMILESCc1ccccc1-n1c(C)c(-c2ccccc2)[n+](C)c1C(C)(C)C
InChIInChI=1S/C22H27N2/c1-16-12-10-11-15-19(16)24-17(2)20(18-13-8-7-9-14-18)23(6)21(24)22(3,4)5/h7-15H,1-6H3/q+1
InChIKeyUFKGZMNTDLUVKM-UHFFFAOYSA-N
XLogP4.88
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-1-methyl-2-(2-methylphenyl)-5,5-diphenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964877
1-tert-butyl-3-methyl-2-(2-methylphenyl)imidazo[5,1-b][1,3]benzoxazol-9-ium
CID 140964990
1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium
CID 140965134
1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
CID 140965151
5-deuterio-1,5-dimethyl-2-(2-methylphenyl)-3-phenylimidazo[5,1-a]isoindol-4-ium
CID 140965169
1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 122415452
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 129192336
5-cyclohexyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenylimidazo[5,1-a]isoindol-4-ium
CID 140964794
5-cyclohexyl-1-methyl-2-(2-methylphenyl)-3,5-diphenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964451
5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium
CID 140964554
(2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole
CID 167085434

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium?
The IUPAC name of 2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium (CID 140964863) is 2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium.
What is the SMILES notation for 2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium?
The canonical SMILES for 2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium is Cc1ccccc1-n1c(C)c(-c2ccccc2)[n+](C)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium?
The InChIKey is UFKGZMNTDLUVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N2/c1-16-12-10-11-15-19(16)24-17(2)20(18-13-8-7-9-14-18)23(6)21(24)22(3,4)5/h7-15H,1-6H3/q+1.
What are the key properties of 2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium?
2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium has a molecular weight of 319.47 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium is sourced from PubChem (CID 140964863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).