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

C28H26N4O3 — CID 155920432

IUPAC6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
SMILESNCCOc1ccc(-c2cn3c(O)c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C28H26N4O3/c29-14-15-35-23-12-8-21(9-13-23)26-18-32-27(24(30-26)16-19-4-2-1-3-5-19)31-25(28(32)34)17-20-6-10-22(33)11-7-20/h1-13,18,33-34H,14-17,29H2
InChIKeyUHGQRJZXHIMQKQ-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.33
Rot. Bonds8

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

6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol (PubChem CID 155920432) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
PubChem CID155920432
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
SMILESNCCOc1ccc(-c2cn3c(O)c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C28H26N4O3/c29-14-15-35-23-12-8-21(9-13-23)26-18-32-27(24(30-26)16-19-4-2-1-3-5-19)31-25(28(32)34)17-20-6-10-22(33)11-7-20/h1-13,18,33-34H,14-17,29H2
InChIKeyUHGQRJZXHIMQKQ-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 6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol (CID 155920432) is 6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol is NCCOc1ccc(-c2cn3c(O)c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1.
What is the InChIKey of 6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is UHGQRJZXHIMQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c29-14-15-35-23-12-8-21(9-13-23)26-18-32-27(24(30-26)16-19-4-2-1-3-5-19)31-25(28(32)34)17-20-6-10-22(33)11-7-20/h1-13,18,33-34H,14-17,29H2.
What are the key properties of 6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]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 6-[4-(2-aminoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 155920432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).