1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole

C24H30N2 — CID 140703322

IUPAC1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
SMILESCc1cc(C(C)(C)C)c(-n2ccnc2-c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C24H30N2/c1-17-15-19(23(2,3)4)21(20(16-17)24(5,6)7)26-14-13-25-22(26)18-11-9-8-10-12-18/h8-16H,1-7H3
InChIKeySXIFUPFDGFOKCX-UHFFFAOYSA-N
MW346.52 g/mol
LogP6.44
Rot. Bonds2

About 1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole

1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole (PubChem CID 140703322) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole.

Molecular Properties

Compound Name1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
PubChem CID140703322
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
SMILESCc1cc(C(C)(C)C)c(-n2ccnc2-c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C24H30N2/c1-17-15-19(23(2,3)4)21(20(16-17)24(5,6)7)26-14-13-25-22(26)18-11-9-8-10-12-18/h8-16H,1-7H3
InChIKeySXIFUPFDGFOKCX-UHFFFAOYSA-N
XLogP6.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole
CID 140866266
1-(4-methyl-2,6-diphenylphenyl)-2-(2-methylphenyl)imidazole
CID 58750814
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931
1-(2,4,6-tritert-butylphenyl)-2-[3-[3-(2,4,6-tritert-butylphenyl)-1H-imidazol-3-ium-2-yl]phenyl]imidazole
CID 123159209
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole
CID 58175669
1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505
1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole
CID 121354111
2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
1,2-bis(3,5-diphenylphenyl)imidazole
CID 90181054
1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole
CID 58175677
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole?
The IUPAC name of 1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole (CID 140703322) is 1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole.
What is the SMILES notation for 1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole?
The canonical SMILES for 1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole is Cc1cc(C(C)(C)C)c(-n2ccnc2-c2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of 1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole?
The InChIKey is SXIFUPFDGFOKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-17-15-19(23(2,3)4)21(20(16-17)24(5,6)7)26-14-13-25-22(26)18-11-9-8-10-12-18/h8-16H,1-7H3.
What are the key properties of 1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole?
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole has a molecular weight of 346.52 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole is sourced from PubChem (CID 140703322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).