2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine

C32H31N3O2 — CID 140803188

IUPAC2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc(Oc2cccc(Oc3ccccn3)c2)c1
InChIInChI=1S/C32H31N3O2/c1-22(2)28-14-9-15-29(23(3)4)31(28)35-19-18-34-32(35)24-10-7-11-25(20-24)36-26-12-8-13-27(21-26)37-30-16-5-6-17-33-30/h5-23H,1-4H3
InChIKeySQZAAFKIKXASAD-UHFFFAOYSA-N
MW489.62 g/mol
LogP8.77
Rot. Bonds8

About 2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine

2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine (PubChem CID 140803188) has the molecular formula C32H31N3O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine.

Molecular Properties

Compound Name2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine
PubChem CID140803188
Molecular FormulaC32H31N3O2
Molecular Weight489.62 g/mol
Exact Mass489.24
IUPAC Name2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc(Oc2cccc(Oc3ccccn3)c2)c1
InChIInChI=1S/C32H31N3O2/c1-22(2)28-14-9-15-29(23(3)4)31(28)35-19-18-34-32(35)24-10-7-11-25(20-24)36-26-12-8-13-27(21-26)37-30-16-5-6-17-33-30/h5-23H,1-4H3
InChIKeySQZAAFKIKXASAD-UHFFFAOYSA-N
XLogP8.77
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]benzimidazole
CID 140593656
1-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]isoquinoline;3-isoquinolin-1-ylphenol
CID 175033695
2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine;2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]pyridine;platinum(2+);potassiopotassium;tetrachloroplatinum
CID 159930135
3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-5-pyridin-2-yl-10-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinine
CID 140630589
3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine
CID 140731051
3-(4-tert-butyl-2-pyridinyl)-5-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-1,3-benzoxazol-2-one
CID 177128904
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole
CID 167387926
4-tert-butyl-2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine
CID 162777204
3-[3-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]phenyl]isoquinoline
CID 140593953
N-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-N-methylaniline
CID 140593461

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine?
The IUPAC name of 2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine (CID 140803188) is 2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine.
What is the SMILES notation for 2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine?
The canonical SMILES for 2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc(Oc2cccc(Oc3ccccn3)c2)c1.
What is the InChIKey of 2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine?
The InChIKey is SQZAAFKIKXASAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O2/c1-22(2)28-14-9-15-29(23(3)4)31(28)35-19-18-34-32(35)24-10-7-11-25(20-24)36-26-12-8-13-27(21-26)37-30-16-5-6-17-33-30/h5-23H,1-4H3.
What are the key properties of 2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine?
2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine has a molecular weight of 489.62 g/mol, XLogP of 8.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine is sourced from PubChem (CID 140803188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).