1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole

C20H28N2O2 — CID 154279954

IUPAC1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
SMILESCCCc1ccc(C2(CCCn3ccnc3)OC(C)C(C)O2)cc1
InChIInChI=1S/C20H28N2O2/c1-4-6-18-7-9-19(10-8-18)20(23-16(2)17(3)24-20)11-5-13-22-14-12-21-15-22/h7-10,12,14-17H,4-6,11,13H2,1-3H3
InChIKeyZAQJVWYFLJIIRU-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.29
Rot. Bonds7

About 1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole

1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole (PubChem CID 154279954) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
PubChem CID154279954
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
SMILESCCCc1ccc(C2(CCCn3ccnc3)OC(C)C(C)O2)cc1
InChIInChI=1S/C20H28N2O2/c1-4-6-18-7-9-19(10-8-18)20(23-16(2)17(3)24-20)11-5-13-22-14-12-21-15-22/h7-10,12,14-17H,4-6,11,13H2,1-3H3
InChIKeyZAQJVWYFLJIIRU-UHFFFAOYSA-N
XLogP4.29
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547718
1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547721
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
sodium;1-butylimidazole;bromide
CID 175480877
1-[6-(4-bromophenyl)hexyl]imidazole
CID 141475213
1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine
CID 123662940
1-(8-phenyloctyl)imidazole
CID 102394184
1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one
CID 20518561
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
1-nonylimidazole;hydrobromide
CID 175434544

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The IUPAC name of 1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole (CID 154279954) is 1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole.
What is the SMILES notation for 1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The canonical SMILES for 1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole is CCCc1ccc(C2(CCCn3ccnc3)OC(C)C(C)O2)cc1.
What is the InChIKey of 1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The InChIKey is ZAQJVWYFLJIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-6-18-7-9-19(10-8-18)20(23-16(2)17(3)24-20)11-5-13-22-14-12-21-15-22/h7-10,12,14-17H,4-6,11,13H2,1-3H3.
What are the key properties of 1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole has a molecular weight of 328.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole is sourced from PubChem (CID 154279954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).