1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole

C16H20N2O2 — CID 11962103

IUPAC1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
SMILESC[C@@H]1CO[C@@](CCc2ccccc2)(Cn2ccnc2)O1
InChIInChI=1S/C16H20N2O2/c1-14-11-19-16(20-14,12-18-10-9-17-13-18)8-7-15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3/t14-,16-/m1/s1
InChIKeyOTDWYEYGTNDBTN-GDBMZVCRSA-N
MW272.35 g/mol
LogP2.65
Rot. Bonds5

About 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole

1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 11962103) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID11962103
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
SMILESC[C@@H]1CO[C@@](CCc2ccccc2)(Cn2ccnc2)O1
InChIInChI=1S/C16H20N2O2/c1-14-11-19-16(20-14,12-18-10-9-17-13-18)8-7-15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3/t14-,16-/m1/s1
InChIKeyOTDWYEYGTNDBTN-GDBMZVCRSA-N
XLogP2.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrobromide
CID 20547996
1-[[2-(2-phenylethyl)-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547790
1-[[4,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547813
1-[[2-[2-(4-methylphenyl)ethyl]-4-(phenylsulfanylmethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 20508169
1-[[2-[2-(3-chlorophenyl)ethyl]-4-ethyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547726
1-[[2-[2-(4-chlorophenyl)ethyl]-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547720
1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-1,3-dioxolan-2-yl]methyl]imidazole;oxalic acid
CID 20547826
1-[[2-[2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547859
1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20548031
1-[[4-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547843
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547857
1-[[2-[2-(4-chlorophenyl)ethyl]-4-[(2,6-dimethylphenyl)sulfanylmethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 13104890

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole (CID 11962103) is 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole is C[C@@H]1CO[C@@](CCc2ccccc2)(Cn2ccnc2)O1.
What is the InChIKey of 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is OTDWYEYGTNDBTN-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-14-11-19-16(20-14,12-18-10-9-17-13-18)8-7-15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3/t14-,16-/m1/s1.
What are the key properties of 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 272.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 11962103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).