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

C26H28N2O2 — CID 134179851

IUPAC6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OC(C)(C)C)cc4)cn23)cc1
InChIInChI=1S/C26H28N2O2/c1-18(2)29-22-11-8-20(9-12-22)24-16-27-25-15-10-21(17-28(24)25)19-6-13-23(14-7-19)30-26(3,4)5/h6-18H,1-5H3
InChIKeyNCQQIQKUYBCKEZ-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.63
Rot. Bonds5

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

6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 134179851) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID134179851
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OC(C)(C)C)cc4)cn23)cc1
InChIInChI=1S/C26H28N2O2/c1-18(2)29-22-11-8-20(9-12-22)24-16-27-25-15-10-21(17-28(24)25)19-6-13-23(14-7-19)30-26(3,4)5/h6-18H,1-5H3
InChIKeyNCQQIQKUYBCKEZ-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 6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 134179851) is 6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is CC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OC(C)(C)C)cc4)cn23)cc1.
What is the InChIKey of 6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is NCQQIQKUYBCKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-18(2)29-22-11-8-20(9-12-22)24-16-27-25-15-10-21(17-28(24)25)19-6-13-23(14-7-19)30-26(3,4)5/h6-18H,1-5H3.
What are the key properties of 6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(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 6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134179851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).