1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole

C29H32N2 — CID 58175677

IUPAC1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole
SMILESCC(C)Cc1ccc(-c2ccccc2)c(CC(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C29H32N2/c1-21(2)19-25-15-16-26(23-11-7-5-8-12-23)27(20-22(3)4)28(25)31-18-17-30-29(31)24-13-9-6-10-14-24/h5-18,21-22H,19-20H2,1-4H3
InChIKeyCFNLSLYOLPBBME-UHFFFAOYSA-N
MW408.59 g/mol
LogP7.60
Rot. Bonds7

About 1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole

1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole (PubChem CID 58175677) has the molecular formula C29H32N2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole
PubChem CID58175677
Molecular FormulaC29H32N2
Molecular Weight408.59 g/mol
Exact Mass408.26
IUPAC Name1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole
SMILESCC(C)Cc1ccc(-c2ccccc2)c(CC(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C29H32N2/c1-21(2)19-25-15-16-26(23-11-7-5-8-12-23)27(20-22(3)4)28(25)31-18-17-30-29(31)24-13-9-6-10-14-24/h5-18,21-22H,19-20H2,1-4H3
InChIKeyCFNLSLYOLPBBME-UHFFFAOYSA-N
XLogP7.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole
CID 58175669
1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole
CID 121354111
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
CID 58400883
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720
1-[2,6-bis(2-methylpropyl)-3,5-diphenylphenyl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[3,5-diphenyl-2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[3-phenyl-2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium
CID 157192206
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
1-(2,6-diethyl-3,5-diphenylphenyl)-2-phenylimidazole;1-(2,6-diethyl-3-phenylphenyl)-2-phenylimidazole;1-[3,5-diphenyl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tetrakis(iridium);2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 158528465
1-[2-(2-methylpropyl)phenyl]-2-naphthalen-2-ylimidazole
CID 58947399
1-(4-methyl-2,6-diphenylphenyl)-2-(2-methylphenyl)imidazole
CID 58750814
1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
CID 144549338
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole?
The IUPAC name of 1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole (CID 58175677) is 1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole.
What is the SMILES notation for 1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole?
The canonical SMILES for 1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole is CC(C)Cc1ccc(-c2ccccc2)c(CC(C)C)c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole?
The InChIKey is CFNLSLYOLPBBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2/c1-21(2)19-25-15-16-26(23-11-7-5-8-12-23)27(20-22(3)4)28(25)31-18-17-30-29(31)24-13-9-6-10-14-24/h5-18,21-22H,19-20H2,1-4H3.
What are the key properties of 1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole?
1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole has a molecular weight of 408.59 g/mol, XLogP of 7.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole is sourced from PubChem (CID 58175677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).