2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine

C26H28N4O — CID 11697270

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(Cc2cn3cc(C)cc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C26H28N4O/c1-20-16-23(21-8-4-3-5-9-21)26-27-22(19-30(26)17-20)18-28-12-14-29(15-13-28)24-10-6-7-11-25(24)31-2/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKeyLNEZIIGVFFLLQU-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.64
Rot. Bonds5

About 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine (PubChem CID 11697270) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
PubChem CID11697270
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(Cc2cn3cc(C)cc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C26H28N4O/c1-20-16-23(21-8-4-3-5-9-21)26-27-22(19-30(26)17-20)18-28-12-14-29(15-13-28)24-10-6-7-11-25(24)31-2/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKeyLNEZIIGVFFLLQU-UHFFFAOYSA-N
XLogP4.64
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine (CID 11697270) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine is COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-c4ccccc4)c3n2)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine?
The InChIKey is LNEZIIGVFFLLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-20-16-23(21-8-4-3-5-9-21)26-27-22(19-30(26)17-20)18-28-12-14-29(15-13-28)24-10-6-7-11-25(24)31-2/h3-11,16-17,19H,12-15,18H2,1-2H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine has a molecular weight of 412.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 11697270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).