1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole

C22H32N2O2 — CID 20547519

IUPAC1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole
SMILESCCC1(CC)COC(Cc2c(C)cc(C)cc2C)(Cn2ccnc2)OC1
InChIInChI=1S/C22H32N2O2/c1-6-21(7-2)14-25-22(26-15-21,13-24-9-8-23-16-24)12-20-18(4)10-17(3)11-19(20)5/h8-11,16H,6-7,12-15H2,1-5H3
InChIKeyDRULLBORDHXNDH-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.60
Rot. Bonds6

About 1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole

1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole (PubChem CID 20547519) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole
PubChem CID20547519
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole
SMILESCCC1(CC)COC(Cc2c(C)cc(C)cc2C)(Cn2ccnc2)OC1
InChIInChI=1S/C22H32N2O2/c1-6-21(7-2)14-25-22(26-15-21,13-24-9-8-23-16-24)12-20-18(4)10-17(3)11-19(20)5/h8-11,16H,6-7,12-15H2,1-5H3
InChIKeyDRULLBORDHXNDH-UHFFFAOYSA-N
XLogP4.60
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5,5-diethyl-2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20548075
1-[[5,5-dipropyl-2-[2-(2,3,5,6-tetramethylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20548070
1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547988
1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547688
1-[[4-ethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518507
1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547944
1-[2-[2-[(4-bromophenyl)methyl]-5,5-diethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547488
1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547780
1-[[4-butyl-2-[2-(3,5-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547686
1-[[2-[2-(4-fluorophenyl)ethyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547952
1-[[2-[2-(4-fluorophenyl)ethyl]-4-[(2,4,6-trimethylphenyl)methylsulfanylmethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20508029
1-[[2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547713

Frequently Asked Questions

What is the IUPAC name of 1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole (CID 20547519) is 1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole is CCC1(CC)COC(Cc2c(C)cc(C)cc2C)(Cn2ccnc2)OC1.
What is the InChIKey of 1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole?
The InChIKey is DRULLBORDHXNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-6-21(7-2)14-25-22(26-15-21,13-24-9-8-23-16-24)12-20-18(4)10-17(3)11-19(20)5/h8-11,16H,6-7,12-15H2,1-5H3.
What are the key properties of 1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole?
1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole has a molecular weight of 356.51 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole is sourced from PubChem (CID 20547519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).