3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline

C21H20N4 — CID 56928045

IUPAC3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline
SMILESCC(C)(C)c1nc(-c2cnc3ccccc3c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C21H20N4/c1-21(2,3)20-24-18(14-8-10-22-11-9-14)19(25-20)16-12-15-6-4-5-7-17(15)23-13-16/h4-13H,1-3H3,(H,24,25)
InChIKeyWOMTUQORZZQBPJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.98
Rot. Bonds2

About 3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline

3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline (PubChem CID 56928045) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline.

Molecular Properties

Compound Name3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline
PubChem CID56928045
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline
SMILESCC(C)(C)c1nc(-c2cnc3ccccc3c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C21H20N4/c1-21(2,3)20-24-18(14-8-10-22-11-9-14)19(25-20)16-12-15-6-4-5-7-17(15)23-13-16/h4-13H,1-3H3,(H,24,25)
InChIKeyWOMTUQORZZQBPJ-UHFFFAOYSA-N
XLogP4.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline?
The IUPAC name of 3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline (CID 56928045) is 3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline.
What is the SMILES notation for 3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline?
The canonical SMILES for 3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline is CC(C)(C)c1nc(-c2cnc3ccccc3c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline?
The InChIKey is WOMTUQORZZQBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-21(2,3)20-24-18(14-8-10-22-11-9-14)19(25-20)16-12-15-6-4-5-7-17(15)23-13-16/h4-13H,1-3H3,(H,24,25).
What are the key properties of 3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline?
3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline has a molecular weight of 328.42 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)quinoline is sourced from PubChem (CID 56928045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).