1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole

C17H22N2O2 — CID 20547780

IUPAC1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
SMILESCc1ccc(CCC2(Cn3ccnc3)OCCO2)c(C)c1
InChIInChI=1S/C17H22N2O2/c1-14-3-4-16(15(2)11-14)5-6-17(20-9-10-21-17)12-19-8-7-18-13-19/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3
InChIKeyPCZUTSVLNSCDBG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.88
Rot. Bonds5

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

1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 20547780) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID20547780
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
SMILESCc1ccc(CCC2(Cn3ccnc3)OCCO2)c(C)c1
InChIInChI=1S/C17H22N2O2/c1-14-3-4-16(15(2)11-14)5-6-17(20-9-10-21-17)12-19-8-7-18-13-19/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3
InChIKeyPCZUTSVLNSCDBG-UHFFFAOYSA-N
XLogP2.88
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[2-(2,4-dimethylphenyl)ethyl]-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547732
1-[[2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547713
1-[[4-tert-butyl-2-[2-(4-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547577
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-methylphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20507931
1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547688
1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547788
1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518725
1-[[4-butyl-2-[2-(3,5-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547686
1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
CID 20547508
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-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole (CID 20547780) is 1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole is Cc1ccc(CCC2(Cn3ccnc3)OCCO2)c(C)c1.
What is the InChIKey of 1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is PCZUTSVLNSCDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14-3-4-16(15(2)11-14)5-6-17(20-9-10-21-17)12-19-8-7-18-13-19/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3.
What are the key properties of 1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 286.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 20547780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).