1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole

C21H30N2O2 — CID 20547688

IUPAC1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
SMILESCc1cc(C)c(CCC2(Cn3ccnc3)OCC(C(C)C)O2)c(C)c1
InChIInChI=1S/C21H30N2O2/c1-15(2)20-12-24-21(25-20,13-23-9-8-22-14-23)7-6-19-17(4)10-16(3)11-18(19)5/h8-11,14-15,20H,6-7,12-13H2,1-5H3
InChIKeyFWMJEYMRNIODJM-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.21
Rot. Bonds6

About 1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole

1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 20547688) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID20547688
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
SMILESCc1cc(C)c(CCC2(Cn3ccnc3)OCC(C(C)C)O2)c(C)c1
InChIInChI=1S/C21H30N2O2/c1-15(2)20-12-24-21(25-20,13-23-9-8-22-14-23)7-6-19-17(4)10-16(3)11-18(19)5/h8-11,14-15,20H,6-7,12-13H2,1-5H3
InChIKeyFWMJEYMRNIODJM-UHFFFAOYSA-N
XLogP4.21
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2-phenylethyl)-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547790
1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20548031
1-[[2-[2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547859
1-[[4-butyl-2-[2-(3,5-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547686
1-[[2-[2-(4-fluorophenyl)ethyl]-4-[(2,4,6-trimethylphenyl)methylsulfanylmethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20508029
1-[[2-[2-(4-methylphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20507931
1-[[4-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547843
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103
1-[[5,5-dipropyl-2-[2-(2,3,5,6-tetramethylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20548070
1-[[4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrobromide
CID 20547996
1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547780
1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547519

Frequently Asked Questions

What is the IUPAC name of 1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole (CID 20547688) is 1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole is Cc1cc(C)c(CCC2(Cn3ccnc3)OCC(C(C)C)O2)c(C)c1.
What is the InChIKey of 1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is FWMJEYMRNIODJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15(2)20-12-24-21(25-20,13-23-9-8-22-14-23)7-6-19-17(4)10-16(3)11-18(19)5/h8-11,14-15,20H,6-7,12-13H2,1-5H3.
What are the key properties of 1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 342.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 20547688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).