1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane

C27H40N2 — CID 144549338

IUPAC1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
SMILESCC.CC(C)C.CCCCc1cc(C)c(-n2ccnc2-c2ccccc2)c(C)c1
InChIInChI=1S/C21H24N2.C4H10.C2H6/c1-4-5-9-18-14-16(2)20(17(3)15-18)23-13-12-22-21(23)19-10-7-6-8-11-19;1-4(2)3;1-2/h6-8,10-15H,4-5,9H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyYKHYNLZRXCFBAI-UHFFFAOYSA-N
MW392.63 g/mol
LogP8.19
Rot. Bonds5

About 1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane

1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane (PubChem CID 144549338) has the molecular formula C27H40N2 and a molecular weight of 392.63 g/mol. Its IUPAC name is 1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane.

Molecular Properties

Compound Name1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
PubChem CID144549338
Molecular FormulaC27H40N2
Molecular Weight392.63 g/mol
Exact Mass392.32
IUPAC Name1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
SMILESCC.CC(C)C.CCCCc1cc(C)c(-n2ccnc2-c2ccccc2)c(C)c1
InChIInChI=1S/C21H24N2.C4H10.C2H6/c1-4-5-9-18-14-16(2)20(17(3)15-18)23-13-12-22-21(23)19-10-7-6-8-11-19;1-4(2)3;1-2/h6-8,10-15H,4-5,9H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyYKHYNLZRXCFBAI-UHFFFAOYSA-N
XLogP8.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931
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
2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 140726934
bis(1-methyl-2-phenylimidazole);pentane
CID 134304641
ethane;3-methyl-2-phenylpyridine;pentane
CID 155691053
2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
CID 144541473
3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine
CID 140811429
1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
CID 140866303
1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole
CID 58059176
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
[3-[1-[4-(ethoxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712823

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane?
The IUPAC name of 1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane (CID 144549338) is 1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane.
What is the SMILES notation for 1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane?
The canonical SMILES for 1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane is CC.CC(C)C.CCCCc1cc(C)c(-n2ccnc2-c2ccccc2)c(C)c1.
What is the InChIKey of 1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane?
The InChIKey is YKHYNLZRXCFBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2.C4H10.C2H6/c1-4-5-9-18-14-16(2)20(17(3)15-18)23-13-12-22-21(23)19-10-7-6-8-11-19;1-4(2)3;1-2/h6-8,10-15H,4-5,9H2,1-3H3;4H,1-3H3;1-2H3.
What are the key properties of 1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane?
1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane has a molecular weight of 392.63 g/mol, XLogP of 8.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane is sourced from PubChem (CID 144549338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).