2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole

C27H36N2 — CID 139394307

IUPAC2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole
SMILESCCCCc1cccc(CCCC)c1-n1ccnc1-c1ccccc1C(C)(C)C
InChIInChI=1S/C27H36N2/c1-6-8-13-21-15-12-16-22(14-9-7-2)25(21)29-20-19-28-26(29)23-17-10-11-18-24(23)27(3,4)5/h10-12,15-20H,6-9,13-14H2,1-5H3
InChIKeyIUZQHEGMADDVMU-UHFFFAOYSA-N
MW388.60 g/mol
LogP7.52
Rot. Bonds8

About 2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole

2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole (PubChem CID 139394307) has the molecular formula C27H36N2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole.

Molecular Properties

Compound Name2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole
PubChem CID139394307
Molecular FormulaC27H36N2
Molecular Weight388.60 g/mol
Exact Mass388.29
IUPAC Name2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole
SMILESCCCCc1cccc(CCCC)c1-n1ccnc1-c1ccccc1C(C)(C)C
InChIInChI=1S/C27H36N2/c1-6-8-13-21-15-12-16-22(14-9-7-2)25(21)29-20-19-28-26(29)23-17-10-11-18-24(23)27(3,4)5/h10-12,15-20H,6-9,13-14H2,1-5H3
InChIKeyIUZQHEGMADDVMU-UHFFFAOYSA-N
XLogP7.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
CID 145383767
2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
CID 123378670
2-(3-butyl-2-methylphenyl)pyridine
CID 161168281
1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole
CID 140866266
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
2-(2-butylphenyl)pyridine
CID 11977286
[5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 115396730
1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
CID 144549338
1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006
1-(2-bromopropan-2-yl)-2-tetradecylbenzene
CID 141042240
2-tert-butyl-6-pentadecylphenol
CID 151192860

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole?
The IUPAC name of 2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole (CID 139394307) is 2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole.
What is the SMILES notation for 2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole?
The canonical SMILES for 2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole is CCCCc1cccc(CCCC)c1-n1ccnc1-c1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole?
The InChIKey is IUZQHEGMADDVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2/c1-6-8-13-21-15-12-16-22(14-9-7-2)25(21)29-20-19-28-26(29)23-17-10-11-18-24(23)27(3,4)5/h10-12,15-20H,6-9,13-14H2,1-5H3.
What are the key properties of 2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole?
2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole has a molecular weight of 388.60 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole is sourced from PubChem (CID 139394307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).