1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole

C19H26N2O2 — CID 20547857

IUPAC1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
SMILESCC1(C)COC(CCCc2ccccc2)(Cn2ccnc2)OC1
InChIInChI=1S/C19H26N2O2/c1-18(2)14-22-19(23-15-18,13-21-12-11-20-16-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,16H,6,9-10,13-15H2,1-2H3
InChIKeyCFFXTYJSSPGWPP-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.68
Rot. Bonds6

About 1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole

1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole (PubChem CID 20547857) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
PubChem CID20547857
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
SMILESCC1(C)COC(CCCc2ccccc2)(Cn2ccnc2)OC1
InChIInChI=1S/C19H26N2O2/c1-18(2)14-22-19(23-15-18,13-21-12-11-20-16-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,16H,6,9-10,13-15H2,1-2H3
InChIKeyCFFXTYJSSPGWPP-UHFFFAOYSA-N
XLogP3.68
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547813
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103
1-[[2-(3-phenylpropyl)-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518699
1-[[4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrobromide
CID 20547996
1-[[2-(3-phenylpropyl)-1,3-dithian-2-yl]methyl]imidazole
CID 20518793
1-[[2-(2-phenylethyl)-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547790
1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
CID 20547508
1-[[2-[2-(4-fluorophenyl)ethyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547952
1-[[5,5-diethyl-2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20548075
1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547988
1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548074
1-[[2-[2-(4-methoxyphenyl)ethyl]-5,5-di(propan-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547920

Frequently Asked Questions

What is the IUPAC name of 1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole (CID 20547857) is 1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole is CC1(C)COC(CCCc2ccccc2)(Cn2ccnc2)OC1.
What is the InChIKey of 1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole?
The InChIKey is CFFXTYJSSPGWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-18(2)14-22-19(23-15-18,13-21-12-11-20-16-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,16H,6,9-10,13-15H2,1-2H3.
What are the key properties of 1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole?
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole has a molecular weight of 314.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole is sourced from PubChem (CID 20547857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).