1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole

C27H34N2 — CID 140866266

IUPAC1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole
SMILESCC1(C)CCC(c2cccc(C(C)(C)C)c2-n2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C27H34N2/c1-26(2,3)23-13-9-12-22(20-14-16-27(4,5)17-15-20)24(23)29-19-18-28-25(29)21-10-7-6-8-11-21/h6-13,18-20H,14-17H2,1-5H3
InChIKeyYXYPNDMSNLQBKW-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.52
Rot. Bonds3

About 1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole

1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole (PubChem CID 140866266) has the molecular formula C27H34N2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole
PubChem CID140866266
Molecular FormulaC27H34N2
Molecular Weight386.58 g/mol
Exact Mass386.27
IUPAC Name1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole
SMILESCC1(C)CCC(c2cccc(C(C)(C)C)c2-n2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C27H34N2/c1-26(2,3)23-13-9-12-22(20-14-16-27(4,5)17-15-20)24(23)29-19-18-28-25(29)21-10-7-6-8-11-21/h6-13,18-20H,14-17H2,1-5H3
InChIKeyYXYPNDMSNLQBKW-UHFFFAOYSA-N
XLogP7.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931
2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole
CID 139394307
2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole
CID 176865622
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)benzo[h]isoquinoline
CID 156667190
2-tert-butyl-4-(4,4-dimethylcyclohexyl)-1-methylanthracene
CID 155760218
1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium
CID 58175627
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline
CID 176835564
2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
CID 145383767
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720
1-(2,4,6-tritert-butylphenyl)-2-[3-[3-(2,4,6-tritert-butylphenyl)-1H-imidazol-3-ium-2-yl]phenyl]imidazole
CID 123159209

Frequently Asked Questions

What is the IUPAC name of 1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole?
The IUPAC name of 1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole (CID 140866266) is 1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole.
What is the SMILES notation for 1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole?
The canonical SMILES for 1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole is CC1(C)CCC(c2cccc(C(C)(C)C)c2-n2ccnc2-c2ccccc2)CC1.
What is the InChIKey of 1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole?
The InChIKey is YXYPNDMSNLQBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2/c1-26(2,3)23-13-9-12-22(20-14-16-27(4,5)17-15-20)24(23)29-19-18-28-25(29)21-10-7-6-8-11-21/h6-13,18-20H,14-17H2,1-5H3.
What are the key properties of 1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole?
1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole has a molecular weight of 386.58 g/mol, XLogP of 7.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole is sourced from PubChem (CID 140866266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).