1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole

C18H26N2O — CID 2852343

IUPAC1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
SMILESCC(C)c1cccc(C(C)C)c1OCCCn1ccnc1
InChIInChI=1S/C18H26N2O/c1-14(2)16-7-5-8-17(15(3)4)18(16)21-12-6-10-20-11-9-19-13-20/h5,7-9,11,13-15H,6,10,12H2,1-4H3
InChIKeyZYIFSTIQKASYGM-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.60
Rot. Bonds7

About 1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole

1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole (PubChem CID 2852343) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
PubChem CID2852343
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
SMILESCC(C)c1cccc(C(C)C)c1OCCCn1ccnc1
InChIInChI=1S/C18H26N2O/c1-14(2)16-7-5-8-17(15(3)4)18(16)21-12-6-10-20-11-9-19-13-20/h5,7-9,11,13-15H,6,10,12H2,1-4H3
InChIKeyZYIFSTIQKASYGM-UHFFFAOYSA-N
XLogP4.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
N-[[3-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]propan-2-amine
CID 61494565
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
1-[4-(2,6-dimethylphenoxy)butyl]imidazole;oxalic acid
CID 2843619
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 112608841
[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]methanamine
CID 112608034
[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol
CID 112612886
N-[[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 115952959
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 102948559
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole?
The IUPAC name of 1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole (CID 2852343) is 1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole.
What is the SMILES notation for 1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole?
The canonical SMILES for 1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole is CC(C)c1cccc(C(C)C)c1OCCCn1ccnc1.
What is the InChIKey of 1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole?
The InChIKey is ZYIFSTIQKASYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)16-7-5-8-17(15(3)4)18(16)21-12-6-10-20-11-9-19-13-20/h5,7-9,11,13-15H,6,10,12H2,1-4H3.
What are the key properties of 1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole?
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole has a molecular weight of 286.42 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole is sourced from PubChem (CID 2852343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).