3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine

C21H25N3 — CID 140811429

IUPAC3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine
SMILESCc1cc(CC(C)(C)C)cc(C)c1-n1ccnc1-c1cccnc1
InChIInChI=1S/C21H25N3/c1-15-11-17(13-21(3,4)5)12-16(2)19(15)24-10-9-23-20(24)18-7-6-8-22-14-18/h6-12,14H,13H2,1-5H3
InChIKeyGJJMCEYBWQBZCB-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.14
Rot. Bonds3

About 3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine

3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine (PubChem CID 140811429) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine
PubChem CID140811429
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine
SMILESCc1cc(CC(C)(C)C)cc(C)c1-n1ccnc1-c1cccnc1
InChIInChI=1S/C21H25N3/c1-15-11-17(13-21(3,4)5)12-16(2)19(15)24-10-9-23-20(24)18-7-6-8-22-14-18/h6-12,14H,13H2,1-5H3
InChIKeyGJJMCEYBWQBZCB-UHFFFAOYSA-N
XLogP5.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine
CID 91541835
1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
CID 144549338
3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine
CID 56861620
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine
CID 50958436
1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole
CID 58059176
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
N-[2-ethyl-4-(2-pyridin-3-ylimidazol-1-yl)phenyl]acetamide
CID 50985435
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931
[3-[1-[4-(ethoxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712823
5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one
CID 50968991
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine?
The IUPAC name of 3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine (CID 140811429) is 3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine?
The canonical SMILES for 3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine is Cc1cc(CC(C)(C)C)cc(C)c1-n1ccnc1-c1cccnc1.
What is the InChIKey of 3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine?
The InChIKey is GJJMCEYBWQBZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-15-11-17(13-21(3,4)5)12-16(2)19(15)24-10-9-23-20(24)18-7-6-8-22-14-18/h6-12,14H,13H2,1-5H3.
What are the key properties of 3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine?
3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine has a molecular weight of 319.45 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 140811429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).