1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole

C18H24N2O2 — CID 70548406

IUPAC1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
SMILESCC(C)c1ccc(C2(CCCn3ccnc3)OCCO2)cc1
InChIInChI=1S/C18H24N2O2/c1-15(2)16-4-6-17(7-5-16)18(21-12-13-22-18)8-3-10-20-11-9-19-14-20/h4-7,9,11,14-15H,3,8,10,12-13H2,1-2H3
InChIKeyPOTUFOJLCLIFPY-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.69
Rot. Bonds6

About 1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole

1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole (PubChem CID 70548406) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
PubChem CID70548406
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
SMILESCC(C)c1ccc(C2(CCCn3ccnc3)OCCO2)cc1
InChIInChI=1S/C18H24N2O2/c1-15(2)16-4-6-17(7-5-16)18(21-12-13-22-18)8-3-10-20-11-9-19-14-20/h4-7,9,11,14-15H,3,8,10,12-13H2,1-2H3
InChIKeyPOTUFOJLCLIFPY-UHFFFAOYSA-N
XLogP3.69
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882
1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547939
2-(3-bromopropyl)-2-(4-propan-2-ylphenyl)-1,3-dioxolane
CID 20547848
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-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 154279954
4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 61069052
1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547705
1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole
CID 20567228
N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 82461492
(2S)-3-acetyl-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 1112621
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The IUPAC name of 1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole (CID 70548406) is 1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole.
What is the SMILES notation for 1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The canonical SMILES for 1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole is CC(C)c1ccc(C2(CCCn3ccnc3)OCCO2)cc1.
What is the InChIKey of 1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The InChIKey is POTUFOJLCLIFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-15(2)16-4-6-17(7-5-16)18(21-12-13-22-18)8-3-10-20-11-9-19-14-20/h4-7,9,11,14-15H,3,8,10,12-13H2,1-2H3.
What are the key properties of 1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole has a molecular weight of 300.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole is sourced from PubChem (CID 70548406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).