5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

C26H28N2O2 — CID 134179296

IUPAC5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCc1c(-c2ccc(OC(C)C)cc2)ccc2ncc(-c3ccc(OC(C)C)cc3)n12
InChIInChI=1S/C26H28N2O2/c1-17(2)29-22-10-6-20(7-11-22)24-14-15-26-27-16-25(28(26)19(24)5)21-8-12-23(13-9-21)30-18(3)4/h6-18H,1-5H3
InChIKeyLWYVDJMXIIPESS-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.55
Rot. Bonds6

About 5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 134179296) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID134179296
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCc1c(-c2ccc(OC(C)C)cc2)ccc2ncc(-c3ccc(OC(C)C)cc3)n12
InChIInChI=1S/C26H28N2O2/c1-17(2)29-22-10-6-20(7-11-22)24-14-15-26-27-16-25(28(26)19(24)5)21-8-12-23(13-9-21)30-18(3)4/h6-18H,1-5H3
InChIKeyLWYVDJMXIIPESS-UHFFFAOYSA-N
XLogP6.55
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 134179296) is 5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is Cc1c(-c2ccc(OC(C)C)cc2)ccc2ncc(-c3ccc(OC(C)C)cc3)n12.
What is the InChIKey of 5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is LWYVDJMXIIPESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-17(2)29-22-10-6-20(7-11-22)24-14-15-26-27-16-25(28(26)19(24)5)21-8-12-23(13-9-21)30-18(3)4/h6-18H,1-5H3.
What are the key properties of 5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 400.52 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134179296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).