3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

C26H28N2O2 — CID 134179301

IUPAC3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)(C)C)cc4)n3c2)cc1
InChIInChI=1S/C26H28N2O2/c1-18(2)29-22-11-6-19(7-12-22)21-10-15-25-27-16-24(28(25)17-21)20-8-13-23(14-9-20)30-26(3,4)5/h6-18H,1-5H3
InChIKeyDMFIQDLSZGCTCA-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.63
Rot. Bonds5

About 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 134179301) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID134179301
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)(C)C)cc4)n3c2)cc1
InChIInChI=1S/C26H28N2O2/c1-18(2)29-22-11-6-19(7-12-22)21-10-15-25-27-16-24(28(25)17-21)20-8-13-23(14-9-20)30-26(3,4)5/h6-18H,1-5H3
InChIKeyDMFIQDLSZGCTCA-UHFFFAOYSA-N
XLogP6.63
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 134179301) is 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)(C)C)cc4)n3c2)cc1.
What is the InChIKey of 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is DMFIQDLSZGCTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-18(2)29-22-11-6-19(7-12-22)21-10-15-25-27-16-24(28(25)17-21)20-8-13-23(14-9-20)30-26(3,4)5/h6-18H,1-5H3.
What are the key properties of 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 400.52 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134179301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).