ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole

C18H34N2 — CID 143229850

IUPACethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole
SMILESCC.CC.CC.Cc1cc(C)c(N2C=CNC2)c(C)c1
InChIInChI=1S/C12H16N2.3C2H6/c1-9-6-10(2)12(11(3)7-9)14-5-4-13-8-14;3*1-2/h4-7,13H,8H2,1-3H3;3*1-2H3
InChIKeyQTAAZQCZKTWYBS-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.53
Rot. Bonds1

About ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole

ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole (PubChem CID 143229850) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Nameethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole
PubChem CID143229850
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Nameethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole
SMILESCC.CC.CC.Cc1cc(C)c(N2C=CNC2)c(C)c1
InChIInChI=1S/C12H16N2.3C2H6/c1-9-6-10(2)12(11(3)7-9)14-5-4-13-8-14;3*1-2/h4-7,13H,8H2,1-3H3;3*1-2H3
InChIKeyQTAAZQCZKTWYBS-UHFFFAOYSA-N
XLogP5.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 101475276
CID 101475276
silver;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;chlorogold;hexafluoroantimony(1-)
CID 18503829
4-tert-butyl-3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole
CID 173283269
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]propan-1-ol
CID 5255189
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole-2-thiol
CID 71730840
2,2-dimethyl-1,3-bis(2,4,6-trimethylphenyl)imidazole
CID 134386547
(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine
CID 170657864
1-(2,4,6-trimethylphenyl)-3-(1,3,5-trimethylthiopyran-2-yl)-2H-imidazole
CID 123168199
1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide
CID 173052661
CID 166446131
CID 166446131
2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 11774625

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole?
The IUPAC name of ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole (CID 143229850) is ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole.
What is the SMILES notation for ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole?
The canonical SMILES for ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole is CC.CC.CC.Cc1cc(C)c(N2C=CNC2)c(C)c1.
What is the InChIKey of ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole?
The InChIKey is QTAAZQCZKTWYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.3C2H6/c1-9-6-10(2)12(11(3)7-9)14-5-4-13-8-14;3*1-2/h4-7,13H,8H2,1-3H3;3*1-2H3.
What are the key properties of ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole?
ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole has a molecular weight of 278.48 g/mol, XLogP of 5.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole is sourced from PubChem (CID 143229850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).