1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole

C18H24N2O3 — CID 20547705

IUPAC1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
SMILESCOc1ccc(C2(CCn3ccnc3)OCC(C)(C)CO2)cc1
InChIInChI=1S/C18H24N2O3/c1-17(2)12-22-18(23-13-17,8-10-20-11-9-19-14-20)15-4-6-16(21-3)7-5-15/h4-7,9,11,14H,8,10,12-13H2,1-3H3
InChIKeyOTOGXOUGQQBFAR-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.21
Rot. Bonds5

About 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole

1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole (PubChem CID 20547705) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
PubChem CID20547705
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
SMILESCOc1ccc(C2(CCn3ccnc3)OCC(C)(C)CO2)cc1
InChIInChI=1S/C18H24N2O3/c1-17(2)12-22-18(23-13-17,8-10-20-11-9-19-14-20)15-4-6-16(21-3)7-5-15/h4-7,9,11,14H,8,10,12-13H2,1-3H3
InChIKeyOTOGXOUGQQBFAR-UHFFFAOYSA-N
XLogP3.21
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
CID 54232065
1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547846
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547939
1-[2-[2-[(4-butoxyphenyl)methyl]-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548022
[2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methanol
CID 13480565
1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548074
1-(2-imidazol-1-ylethyl)-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile
CID 42606509
1-[[2-[2-(4-methoxyphenyl)ethyl]-5,5-di(propan-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547920
1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882
1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70548406
3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine
CID 21285265

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole (CID 20547705) is 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole is COc1ccc(C2(CCn3ccnc3)OCC(C)(C)CO2)cc1.
What is the InChIKey of 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole?
The InChIKey is OTOGXOUGQQBFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-17(2)12-22-18(23-13-17,8-10-20-11-9-19-14-20)15-4-6-16(21-3)7-5-15/h4-7,9,11,14H,8,10,12-13H2,1-3H3.
What are the key properties of 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole?
1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole has a molecular weight of 316.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole is sourced from PubChem (CID 20547705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).