1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole

C17H22N2O2 — CID 20547721

IUPAC1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
SMILESCc1ccc(C2(CCCn3ccnc3)OCC(C)O2)cc1
InChIInChI=1S/C17H22N2O2/c1-14-4-6-16(7-5-14)17(20-12-15(2)21-17)8-3-10-19-11-9-18-13-19/h4-7,9,11,13,15H,3,8,10,12H2,1-2H3
InChIKeyFHMUSKJNOWQCHZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.26
Rot. Bonds5

About 1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole

1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole (PubChem CID 20547721) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
PubChem CID20547721
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
SMILESCc1ccc(C2(CCCn3ccnc3)OCC(C)O2)cc1
InChIInChI=1S/C17H22N2O2/c1-14-4-6-16(7-5-14)17(20-12-15(2)21-17)8-3-10-19-11-9-18-13-19/h4-7,9,11,13,15H,3,8,10,12H2,1-2H3
InChIKeyFHMUSKJNOWQCHZ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882
1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 154279954
1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70548406
1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547939
1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547546
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103
1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547874
1-[[4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrobromide
CID 20547996
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548074
1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride
CID 12698934

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The IUPAC name of 1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole (CID 20547721) is 1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole.
What is the SMILES notation for 1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The canonical SMILES for 1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole is Cc1ccc(C2(CCCn3ccnc3)OCC(C)O2)cc1.
What is the InChIKey of 1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The InChIKey is FHMUSKJNOWQCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14-4-6-16(7-5-14)17(20-12-15(2)21-17)8-3-10-19-11-9-18-13-19/h4-7,9,11,13,15H,3,8,10,12H2,1-2H3.
What are the key properties of 1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole has a molecular weight of 286.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole is sourced from PubChem (CID 20547721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).