1-(4-tert-butylphenyl)-4-deuterioimidazole

C13H16N2 — CID 175923737

IUPAC1-(4-tert-butylphenyl)-4-deuterioimidazole
SMILES[2H]c1cn(-c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C13H16N2/c1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15/h4-10H,1-3H3/i8D
InChIKeyWHTQIJGGVCNQMP-BNEYPBHNSA-N
MW201.29 g/mol
LogP3.17
Rot. Bonds1

About 1-(4-tert-butylphenyl)-4-deuterioimidazole

1-(4-tert-butylphenyl)-4-deuterioimidazole (PubChem CID 175923737) has the molecular formula C13H16N2 and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-deuterioimidazole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-deuterioimidazole
PubChem CID175923737
Molecular FormulaC13H16N2
Molecular Weight201.29 g/mol
Exact Mass201.14
IUPAC Name1-(4-tert-butylphenyl)-4-deuterioimidazole
SMILES[2H]c1cn(-c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C13H16N2/c1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15/h4-10H,1-3H3/i8D
InChIKeyWHTQIJGGVCNQMP-BNEYPBHNSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-methylpyrazole
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CID 19541225
4-bromo-1-(4-tert-butylphenyl)imidazole
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4-tert-butyl-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]benzamide
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1-(3-bromo-5-tert-butylphenyl)-4,5-dideuterioimidazole
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1-(3-tert-butylphenyl)imidazole
CID 59332766
1-(4-tert-butylphenyl)-4-phenylimidazole
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1-(4-tert-butyl-3-chlorophenyl)imidazole
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2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
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3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole
CID 175094962
1-[1-(4-tert-butylphenyl)pyrrol-3-yl]ethanone
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CID 110445434

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-deuterioimidazole?
The IUPAC name of 1-(4-tert-butylphenyl)-4-deuterioimidazole (CID 175923737) is 1-(4-tert-butylphenyl)-4-deuterioimidazole.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-deuterioimidazole?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-deuterioimidazole is [2H]c1cn(-c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-deuterioimidazole?
The InChIKey is WHTQIJGGVCNQMP-BNEYPBHNSA-N. The full InChI is InChI=1S/C13H16N2/c1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15/h4-10H,1-3H3/i8D.
What are the key properties of 1-(4-tert-butylphenyl)-4-deuterioimidazole?
1-(4-tert-butylphenyl)-4-deuterioimidazole has a molecular weight of 201.29 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-deuterioimidazole is sourced from PubChem (CID 175923737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).