2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole

C29H40N2 — CID 123378670

IUPAC2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
SMILESCCC(C)C(C)(CC)c1ccccc1-c1nccn1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H40N2/c1-9-22(7)29(8,10-2)26-17-12-11-14-25(26)28-30-18-19-31(28)27-23(20(3)4)15-13-16-24(27)21(5)6/h11-22H,9-10H2,1-8H3
InChIKeyYBYSPAISTSOPJX-UHFFFAOYSA-N
MW416.65 g/mol
LogP8.50
Rot. Bonds8

About 2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole

2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole (PubChem CID 123378670) has the molecular formula C29H40N2 and a molecular weight of 416.65 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
PubChem CID123378670
Molecular FormulaC29H40N2
Molecular Weight416.65 g/mol
Exact Mass416.32
IUPAC Name2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
SMILESCCC(C)C(C)(CC)c1ccccc1-c1nccn1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H40N2/c1-9-22(7)29(8,10-2)26-17-12-11-14-25(26)28-30-18-19-31(28)27-23(20(3)4)15-13-16-24(27)21(5)6/h11-22H,9-10H2,1-8H3
InChIKeyYBYSPAISTSOPJX-UHFFFAOYSA-N
XLogP8.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
CID 145383767
2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline
CID 144725489
2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole
CID 139394307
1-[2,6-di(propan-2-yl)phenyl]-2-[5-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]pyrrol-1-id-2-yl]imidazole;platinum(2+)
CID 162466983
2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 144542422
2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole
CID 118944080
CID 162072603
CID 162072603
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
tris(1-[2-(2,6-dimethylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole);iridium(3+)
CID 86292659
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole?
The IUPAC name of 2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole (CID 123378670) is 2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole.
What is the SMILES notation for 2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole?
The canonical SMILES for 2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole is CCC(C)C(C)(CC)c1ccccc1-c1nccn1-c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole?
The InChIKey is YBYSPAISTSOPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2/c1-9-22(7)29(8,10-2)26-17-12-11-14-25(26)28-30-18-19-31(28)27-23(20(3)4)15-13-16-24(27)21(5)6/h11-22H,9-10H2,1-8H3.
What are the key properties of 2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole?
2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole has a molecular weight of 416.65 g/mol, XLogP of 8.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole is sourced from PubChem (CID 123378670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).