2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol

C28H26N4O3 — CID 155920433

IUPAC2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
SMILESNCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C28H26N4O3/c29-14-15-35-23-12-6-20(7-13-23)17-25-28(34)32-18-26(21-8-10-22(33)11-9-21)30-24(27(32)31-25)16-19-4-2-1-3-5-19/h1-13,18,33-34H,14-17,29H2
InChIKeyUCARQXXWFSCAJK-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.33
Rot. Bonds8

About 2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol

2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 155920433) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID155920433
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
SMILESNCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C28H26N4O3/c29-14-15-35-23-12-6-20(7-13-23)17-25-28(34)32-18-26(21-8-10-22(33)11-9-21)30-24(27(32)31-25)16-19-4-2-1-3-5-19/h1-13,18,33-34H,14-17,29H2
InChIKeyUCARQXXWFSCAJK-UHFFFAOYSA-N
XLogP4.33
TPSA105.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (CID 155920433) is 2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is NCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.
What is the InChIKey of 2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is UCARQXXWFSCAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c29-14-15-35-23-12-6-20(7-13-23)17-25-28(34)32-18-26(21-8-10-22(33)11-9-21)30-24(27(32)31-25)16-19-4-2-1-3-5-19/h1-13,18,33-34H,14-17,29H2.
What are the key properties of 2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 466.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-aminoethoxy)phenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 155920433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).